Sodium in PDB 6gjf: Ancestral Endocellulase CEL5A
Enzymatic activity of Ancestral Endocellulase CEL5A
All present enzymatic activity of Ancestral Endocellulase CEL5A:
3.2.1.4;
Protein crystallography data
The structure of Ancestral Endocellulase CEL5A, PDB code: 6gjf
was solved by
J.A.Gavira,
R.Perez-Jimenez,
N.Barruetabena-Garate,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
71.08 /
1.45
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
51.436,
235.636,
74.562,
90.00,
90.67,
90.00
|
|
R / Rfree (%)
|
11.8 /
15.3
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Ancestral Endocellulase CEL5A
(pdb code 6gjf). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 10 binding sites of Sodium where determined in the
Ancestral Endocellulase CEL5A, PDB code: 6gjf:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Sodium binding site 1 out
of 10 in 6gjf
Go back to
Sodium Binding Sites List in 6gjf
Sodium binding site 1 out
of 10 in the Ancestral Endocellulase CEL5A
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Ancestral Endocellulase CEL5A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na304
b:15.4
occ:1.00
|
O
|
A:GLY124
|
2.2
|
16.5
|
1.0
|
|
OD1
|
A:ASP164
|
2.2
|
20.5
|
1.0
|
|
OD1
|
A:ASN165
|
2.2
|
11.2
|
0.4
|
|
O
|
A:HOH522
|
2.2
|
18.7
|
1.0
|
|
O
|
A:HOH643
|
2.3
|
26.0
|
1.0
|
|
OD1
|
A:ASP162
|
2.4
|
14.6
|
1.0
|
|
CG
|
A:ASP162
|
3.2
|
13.9
|
1.0
|
|
ND2
|
A:ASN165
|
3.3
|
10.7
|
0.6
|
|
HD21
|
A:ASN165
|
3.3
|
12.8
|
0.6
|
|
CG
|
A:ASN165
|
3.3
|
12.8
|
0.4
|
|
CG
|
A:ASP164
|
3.3
|
18.6
|
1.0
|
|
C
|
A:GLY124
|
3.4
|
13.6
|
1.0
|
|
H
|
A:ASN165
|
3.4
|
14.1
|
0.6
|
|
H
|
A:ASN165
|
3.4
|
14.3
|
0.4
|
|
H
|
A:ASP164
|
3.5
|
17.0
|
1.0
|
|
HA
|
A:ASN125
|
3.5
|
18.9
|
0.6
|
|
HD22
|
A:ASN165
|
3.5
|
12.8
|
0.6
|
|
HA
|
A:ASN125
|
3.5
|
18.2
|
0.4
|
|
CG
|
A:ASN165
|
3.6
|
11.9
|
0.6
|
|
OD2
|
A:ASP162
|
3.6
|
12.9
|
1.0
|
|
HD2
|
A:PRO163
|
3.7
|
19.9
|
1.0
|
|
O
|
A:HOH411
|
3.8
|
43.3
|
1.0
|
|
OD2
|
A:ASP164
|
3.9
|
25.1
|
1.0
|
|
HA
|
A:ASP162
|
4.0
|
16.9
|
1.0
|
|
N
|
A:ASN165
|
4.0
|
11.8
|
0.6
|
|
OD1
|
A:ASN165
|
4.0
|
13.4
|
0.6
|
|
N
|
A:ASN165
|
4.0
|
12.0
|
0.4
|
|
HB2
|
A:ASN165
|
4.0
|
13.7
|
0.6
|
|
HD21
|
A:ASN165
|
4.0
|
15.5
|
0.4
|
|
HE22
|
A:GLN8
|
4.1
|
25.7
|
1.0
|
|
ND2
|
A:ASN165
|
4.1
|
12.9
|
0.4
|
|
CA
|
A:ASN125
|
4.2
|
15.7
|
0.6
|
|
CA
|
A:ASN125
|
4.2
|
15.2
|
0.4
|
|
N
|
A:ASN125
|
4.2
|
14.6
|
1.0
|
|
HA2
|
A:GLY124
|
4.2
|
18.2
|
1.0
|
|
HB2
|
A:ASN165
|
4.2
|
15.1
|
0.4
|
|
N
|
A:ASP164
|
4.2
|
14.2
|
1.0
|
|
CB
|
A:ASN165
|
4.3
|
11.4
|
0.6
|
|
CB
|
A:ASN165
|
4.3
|
12.6
|
0.4
|
|
CA
|
A:GLY124
|
4.3
|
15.2
|
1.0
|
|
CB
|
A:ASP162
|
4.4
|
13.4
|
1.0
|
|
HA3
|
A:GLY124
|
4.4
|
18.2
|
1.0
|
|
CA
|
A:ASP162
|
4.5
|
14.0
|
1.0
|
|
OE1
|
A:GLN8
|
4.5
|
18.4
|
1.0
|
|
C
|
A:ASN125
|
4.5
|
13.7
|
1.0
|
|
CD
|
A:PRO163
|
4.5
|
16.6
|
1.0
|
|
CB
|
A:ASP164
|
4.6
|
17.2
|
1.0
|
|
HG2
|
A:PRO163
|
4.6
|
25.2
|
1.0
|
|
N
|
A:PRO163
|
4.6
|
14.7
|
1.0
|
|
C
|
A:ASP162
|
4.7
|
14.1
|
1.0
|
|
C
|
A:ASP164
|
4.7
|
13.5
|
1.0
|
|
CA
|
A:ASN165
|
4.7
|
11.1
|
0.6
|
|
CA
|
A:ASP164
|
4.7
|
14.2
|
1.0
|
|
CA
|
A:ASN165
|
4.7
|
11.6
|
0.4
|
|
O
|
A:HOH427
|
4.7
|
35.9
|
1.0
|
|
HB2
|
A:ASP162
|
4.7
|
16.1
|
1.0
|
|
NE2
|
A:GLN8
|
4.7
|
21.4
|
1.0
|
|
O
|
A:TYR126
|
4.8
|
15.0
|
1.0
|
|
HA
|
A:ASN165
|
4.9
|
13.9
|
0.4
|
|
HA
|
A:ASN165
|
4.9
|
13.3
|
0.6
|
|
N
|
A:TYR126
|
4.9
|
13.8
|
1.0
|
|
HD22
|
A:ASN165
|
4.9
|
15.5
|
0.4
|
|
O
|
A:HOH544
|
4.9
|
42.5
|
1.0
|
|
H
|
A:TYR126
|
4.9
|
16.5
|
1.0
|
|
O
|
A:ASN125
|
5.0
|
18.9
|
1.0
|
|
CD
|
A:GLN8
|
5.0
|
18.6
|
1.0
|
|
Sodium binding site 2 out
of 10 in 6gjf
Go back to
Sodium Binding Sites List in 6gjf
Sodium binding site 2 out
of 10 in the Ancestral Endocellulase CEL5A
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Ancestral Endocellulase CEL5A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na305
b:17.0
occ:1.00
|
OE2
|
A:GLU132
|
2.7
|
11.2
|
1.0
|
|
HA
|
A:ASN135
|
2.7
|
11.9
|
1.0
|
|
O
|
A:HOH519
|
2.7
|
9.0
|
1.0
|
|
HB2
|
A:ALA194
|
2.8
|
13.6
|
1.0
|
|
O
|
A:ASN135
|
2.9
|
11.0
|
1.0
|
|
HB3
|
A:ALA194
|
3.0
|
13.6
|
1.0
|
|
HG3
|
A:GLU132
|
3.0
|
12.8
|
1.0
|
|
HA2
|
A:GLY170
|
3.0
|
14.0
|
1.0
|
|
CB
|
A:ALA194
|
3.2
|
11.3
|
1.0
|
|
HG2
|
A:GLU132
|
3.2
|
12.8
|
1.0
|
|
HG
|
A:SER175
|
3.2
|
13.8
|
1.0
|
|
HB1
|
A:ALA194
|
3.3
|
13.6
|
1.0
|
|
O
|
A:CYS134
|
3.3
|
11.2
|
1.0
|
|
HA3
|
A:GLY170
|
3.3
|
14.0
|
1.0
|
|
CG
|
A:GLU132
|
3.4
|
10.7
|
1.0
|
|
HG1
|
A:THR223
|
3.4
|
13.4
|
1.0
|
|
CA
|
A:ASN135
|
3.4
|
9.9
|
1.0
|
|
CD
|
A:GLU132
|
3.5
|
10.8
|
1.0
|
|
CA
|
A:GLY170
|
3.5
|
11.6
|
1.0
|
|
C
|
A:ASN135
|
3.6
|
9.1
|
1.0
|
|
N
|
A:GLY170
|
3.7
|
10.8
|
1.0
|
|
H
|
A:GLY170
|
3.7
|
13.0
|
1.0
|
|
C
|
A:CYS134
|
3.7
|
9.3
|
1.0
|
|
N
|
A:ASN135
|
3.8
|
10.4
|
1.0
|
|
HE2
|
A:HIS196
|
4.0
|
12.7
|
1.0
|
|
H
|
A:CYS134
|
4.0
|
11.1
|
1.0
|
|
HG22
|
A:ILE168
|
4.0
|
13.2
|
1.0
|
|
OG
|
A:SER175
|
4.0
|
11.5
|
1.0
|
|
OG1
|
A:THR223
|
4.1
|
11.2
|
1.0
|
|
HE1
|
A:HIS196
|
4.3
|
12.6
|
1.0
|
|
C
|
A:VAL169
|
4.3
|
9.2
|
1.0
|
|
NE2
|
A:HIS196
|
4.4
|
10.6
|
1.0
|
|
HH21
|
A:ARG59
|
4.4
|
13.5
|
1.0
|
|
H
|
A:ASN135
|
4.5
|
12.5
|
1.0
|
|
CE1
|
A:HIS196
|
4.5
|
10.5
|
1.0
|
|
CA
|
A:ALA194
|
4.7
|
10.8
|
1.0
|
|
OE1
|
A:GLU132
|
4.7
|
11.3
|
1.0
|
|
H
|
A:ALA194
|
4.7
|
13.0
|
1.0
|
|
O
|
A:VAL169
|
4.7
|
10.3
|
1.0
|
|
N
|
A:CYS134
|
4.8
|
9.2
|
1.0
|
|
CB
|
A:ASN135
|
4.8
|
10.6
|
1.0
|
|
O
|
A:ILE168
|
4.8
|
10.3
|
1.0
|
|
N
|
A:GLU136
|
4.8
|
11.1
|
1.0
|
|
HG21
|
A:THR223
|
4.8
|
13.2
|
1.0
|
|
HG21
|
A:ILE168
|
4.9
|
13.2
|
1.0
|
|
OD1
|
A:ASN135
|
4.9
|
11.1
|
1.0
|
|
CG2
|
A:ILE168
|
4.9
|
11.0
|
1.0
|
|
HA
|
A:VAL169
|
4.9
|
12.2
|
1.0
|
|
CB
|
A:GLU132
|
4.9
|
10.0
|
1.0
|
|
HB3
|
A:SER175
|
4.9
|
13.3
|
1.0
|
|
CA
|
A:CYS134
|
4.9
|
10.4
|
1.0
|
|
HD3
|
A:PRO137
|
4.9
|
12.2
|
1.0
|
|
C
|
A:GLY170
|
4.9
|
11.7
|
1.0
|
|
CB
|
A:SER175
|
5.0
|
11.1
|
1.0
|
|
H
|
A:THR171
|
5.0
|
13.4
|
1.0
|
|
Sodium binding site 3 out
of 10 in 6gjf
Go back to
Sodium Binding Sites List in 6gjf
Sodium binding site 3 out
of 10 in the Ancestral Endocellulase CEL5A
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Ancestral Endocellulase CEL5A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na302
b:17.0
occ:1.00
|
O
|
B:HOH549
|
2.7
|
8.7
|
1.0
|
|
OE2
|
B:GLU132
|
2.7
|
10.7
|
1.0
|
|
HA
|
B:ASN135
|
2.8
|
11.8
|
1.0
|
|
HB2
|
B:ALA194
|
2.8
|
13.8
|
1.0
|
|
O
|
B:ASN135
|
2.9
|
10.1
|
1.0
|
|
HG3
|
B:GLU132
|
3.0
|
12.0
|
1.0
|
|
HB3
|
B:ALA194
|
3.1
|
13.8
|
1.0
|
|
HA2
|
B:GLY170
|
3.1
|
12.6
|
1.0
|
|
CB
|
B:ALA194
|
3.2
|
11.5
|
1.0
|
|
HG2
|
B:GLU132
|
3.2
|
12.0
|
1.0
|
|
O
|
B:CYS134
|
3.3
|
10.6
|
1.0
|
|
HA3
|
B:GLY170
|
3.3
|
12.6
|
1.0
|
|
HB1
|
B:ALA194
|
3.3
|
13.8
|
1.0
|
|
HG
|
B:SER175
|
3.3
|
13.5
|
1.0
|
|
HG1
|
B:THR223
|
3.4
|
13.8
|
1.0
|
|
CG
|
B:GLU132
|
3.4
|
10.0
|
1.0
|
|
CA
|
B:GLY170
|
3.5
|
10.5
|
1.0
|
|
CA
|
B:ASN135
|
3.5
|
9.9
|
1.0
|
|
CD
|
B:GLU132
|
3.5
|
9.7
|
1.0
|
|
C
|
B:ASN135
|
3.6
|
10.4
|
1.0
|
|
N
|
B:GLY170
|
3.6
|
9.7
|
1.0
|
|
H
|
B:GLY170
|
3.6
|
11.7
|
1.0
|
|
C
|
B:CYS134
|
3.8
|
9.9
|
1.0
|
|
N
|
B:ASN135
|
3.9
|
10.6
|
1.0
|
|
HG22
|
B:ILE168
|
3.9
|
12.8
|
1.0
|
|
HE2
|
B:HIS196
|
4.0
|
11.6
|
1.0
|
|
H
|
B:CYS134
|
4.0
|
13.0
|
1.0
|
|
OG1
|
B:THR223
|
4.1
|
11.5
|
1.0
|
|
OG
|
B:SER175
|
4.1
|
11.2
|
1.0
|
|
C
|
B:VAL169
|
4.3
|
10.0
|
1.0
|
|
HE1
|
B:HIS196
|
4.3
|
13.1
|
1.0
|
|
NE2
|
B:HIS196
|
4.4
|
9.7
|
1.0
|
|
HH21
|
B:ARG59
|
4.4
|
13.5
|
1.0
|
|
H
|
B:ASN135
|
4.5
|
12.7
|
1.0
|
|
CE1
|
B:HIS196
|
4.6
|
10.9
|
1.0
|
|
CA
|
B:ALA194
|
4.7
|
9.7
|
1.0
|
|
OE1
|
B:GLU132
|
4.7
|
10.8
|
1.0
|
|
O
|
B:VAL169
|
4.7
|
10.0
|
1.0
|
|
H
|
B:ALA194
|
4.7
|
11.2
|
1.0
|
|
HG21
|
B:THR223
|
4.8
|
13.9
|
1.0
|
|
CG2
|
B:ILE168
|
4.8
|
10.6
|
1.0
|
|
HG21
|
B:ILE168
|
4.8
|
12.8
|
1.0
|
|
N
|
B:CYS134
|
4.8
|
10.8
|
1.0
|
|
O
|
B:ILE168
|
4.8
|
10.5
|
1.0
|
|
N
|
B:GLU136
|
4.8
|
10.8
|
1.0
|
|
HA
|
B:VAL169
|
4.8
|
12.1
|
1.0
|
|
HD3
|
B:PRO137
|
4.9
|
12.2
|
1.0
|
|
CB
|
B:ASN135
|
4.9
|
11.4
|
1.0
|
|
CB
|
B:GLU132
|
4.9
|
9.2
|
1.0
|
|
CA
|
B:CYS134
|
4.9
|
11.3
|
1.0
|
|
OD1
|
B:ASN135
|
4.9
|
10.5
|
1.0
|
|
C
|
B:GLY170
|
5.0
|
9.4
|
1.0
|
|
HB3
|
B:SER175
|
5.0
|
13.2
|
1.0
|
|
Sodium binding site 4 out
of 10 in 6gjf
Go back to
Sodium Binding Sites List in 6gjf
Sodium binding site 4 out
of 10 in the Ancestral Endocellulase CEL5A
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Ancestral Endocellulase CEL5A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na305
b:14.2
occ:1.00
|
O
|
B:GLY124
|
2.1
|
15.9
|
1.0
|
|
O
|
B:HOH577
|
2.2
|
17.5
|
1.0
|
|
O
|
B:HOH632
|
2.2
|
19.1
|
1.0
|
|
OD1
|
B:ASP164
|
2.2
|
16.9
|
1.0
|
|
OD1
|
B:ASN165
|
2.2
|
13.7
|
0.5
|
|
OD1
|
B:ASP162
|
2.3
|
14.8
|
1.0
|
|
CG
|
B:ASP162
|
3.1
|
14.8
|
1.0
|
|
ND2
|
B:ASN165
|
3.3
|
13.4
|
0.5
|
|
CG
|
B:ASN165
|
3.3
|
11.4
|
0.5
|
|
CG
|
B:ASP164
|
3.4
|
15.9
|
1.0
|
|
C
|
B:GLY124
|
3.4
|
14.9
|
1.0
|
|
H
|
B:ASN165
|
3.4
|
13.1
|
0.5
|
|
H
|
B:ASN165
|
3.4
|
13.2
|
0.5
|
|
H
|
B:ASP164
|
3.5
|
17.0
|
1.0
|
|
HA
|
B:ASN125
|
3.5
|
21.9
|
0.5
|
|
HA
|
B:ASN125
|
3.5
|
21.1
|
0.5
|
|
OD2
|
B:ASP162
|
3.6
|
13.0
|
1.0
|
|
CG
|
B:ASN165
|
3.6
|
11.9
|
0.5
|
|
HE22
|
B:GLN8
|
3.8
|
22.1
|
1.0
|
|
OD2
|
B:ASP164
|
3.9
|
21.6
|
1.0
|
|
HD2
|
B:PRO163
|
3.9
|
22.3
|
1.0
|
|
OD1
|
B:ASN165
|
3.9
|
12.5
|
0.5
|
|
HA
|
B:ASP162
|
3.9
|
16.8
|
1.0
|
|
O
|
B:HOH411
|
4.0
|
40.3
|
1.0
|
|
N
|
B:ASN165
|
4.0
|
10.9
|
0.5
|
|
N
|
B:ASN165
|
4.0
|
11.0
|
0.5
|
|
HB2
|
B:ASN165
|
4.0
|
14.8
|
0.5
|
|
HD21
|
B:ASN165
|
4.0
|
12.8
|
0.5
|
|
ND2
|
B:ASN165
|
4.1
|
10.7
|
0.5
|
|
CA
|
B:ASN125
|
4.2
|
18.2
|
0.5
|
|
CA
|
B:ASN125
|
4.2
|
17.5
|
0.5
|
|
HB2
|
B:ASN165
|
4.2
|
14.4
|
0.5
|
|
HA2
|
B:GLY124
|
4.2
|
18.4
|
1.0
|
|
N
|
B:ASN125
|
4.2
|
15.7
|
1.0
|
|
CB
|
B:ASN165
|
4.3
|
12.3
|
0.5
|
|
N
|
B:ASP164
|
4.3
|
14.2
|
1.0
|
|
CB
|
B:ASN165
|
4.3
|
12.0
|
0.5
|
|
CA
|
B:GLY124
|
4.3
|
15.3
|
1.0
|
|
HD22
|
B:ASN125
|
4.3
|
37.2
|
0.5
|
|
CB
|
B:ASP162
|
4.3
|
13.7
|
1.0
|
|
O
|
B:HOH695
|
4.3
|
37.8
|
1.0
|
|
HA3
|
B:GLY124
|
4.4
|
18.4
|
1.0
|
|
O
|
B:HOH426
|
4.4
|
37.1
|
1.0
|
|
CA
|
B:ASP162
|
4.5
|
14.0
|
1.0
|
|
NE2
|
B:GLN8
|
4.5
|
18.4
|
1.0
|
|
OE1
|
B:GLN8
|
4.5
|
16.7
|
1.0
|
|
C
|
B:ASN125
|
4.6
|
17.9
|
1.0
|
|
CB
|
B:ASP164
|
4.6
|
14.6
|
1.0
|
|
HB2
|
B:ASP162
|
4.6
|
16.5
|
1.0
|
|
CA
|
B:ASN165
|
4.6
|
12.1
|
0.5
|
|
CA
|
B:ASN165
|
4.6
|
11.9
|
0.5
|
|
C
|
B:ASP164
|
4.7
|
12.9
|
1.0
|
|
CA
|
B:ASP164
|
4.7
|
12.7
|
1.0
|
|
C
|
B:ASP162
|
4.7
|
13.9
|
1.0
|
|
CD
|
B:PRO163
|
4.7
|
18.6
|
1.0
|
|
N
|
B:PRO163
|
4.7
|
14.9
|
1.0
|
|
O
|
B:TYR126
|
4.8
|
15.0
|
1.0
|
|
HA
|
B:ASN165
|
4.8
|
14.2
|
0.5
|
|
HA
|
B:ASN165
|
4.8
|
14.5
|
0.5
|
|
CD
|
B:GLN8
|
4.9
|
15.6
|
1.0
|
|
N
|
B:TYR126
|
4.9
|
13.5
|
1.0
|
|
HD22
|
B:ASN165
|
4.9
|
12.8
|
0.5
|
|
H
|
B:TYR126
|
4.9
|
16.2
|
1.0
|
|
O
|
B:ASN125
|
5.0
|
18.9
|
1.0
|
|
Sodium binding site 5 out
of 10 in 6gjf
Go back to
Sodium Binding Sites List in 6gjf
Sodium binding site 5 out
of 10 in the Ancestral Endocellulase CEL5A
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of Ancestral Endocellulase CEL5A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na302
b:17.6
occ:1.00
|
OD1
|
C:ASN165
|
2.1
|
14.0
|
0.4
|
|
O
|
C:GLY124
|
2.2
|
19.7
|
1.0
|
|
OD1
|
C:ASP164
|
2.2
|
21.3
|
1.0
|
|
O
|
C:HOH589
|
2.2
|
25.8
|
1.0
|
|
OD1
|
C:ASP162
|
2.3
|
17.4
|
1.0
|
|
O
|
C:HOH494
|
2.3
|
21.4
|
1.0
|
|
CG
|
C:ASP162
|
3.1
|
16.7
|
1.0
|
|
ND2
|
C:ASN165
|
3.2
|
15.6
|
0.6
|
|
CG
|
C:ASN165
|
3.2
|
14.0
|
0.4
|
|
HD21
|
C:ASN165
|
3.2
|
18.8
|
0.6
|
|
H
|
C:ASN165
|
3.4
|
19.6
|
0.6
|
|
H
|
C:ASN165
|
3.4
|
19.4
|
0.4
|
|
CG
|
C:ASP164
|
3.4
|
18.9
|
1.0
|
|
HD22
|
C:ASN165
|
3.4
|
18.8
|
0.6
|
|
C
|
C:GLY124
|
3.4
|
18.3
|
1.0
|
|
HA
|
C:ASN125
|
3.5
|
23.3
|
0.4
|
|
H
|
C:ASP164
|
3.5
|
21.8
|
1.0
|
|
HA
|
C:ASN125
|
3.5
|
23.4
|
0.6
|
|
CG
|
C:ASN165
|
3.6
|
15.6
|
0.6
|
|
OD2
|
C:ASP162
|
3.6
|
16.1
|
1.0
|
|
HD2
|
C:PRO163
|
3.8
|
26.8
|
1.0
|
|
HA
|
C:ASP162
|
3.9
|
21.0
|
1.0
|
|
OD2
|
C:ASP164
|
3.9
|
24.5
|
1.0
|
|
HD21
|
C:ASN165
|
3.9
|
14.8
|
0.4
|
|
HB2
|
C:ASN165
|
3.9
|
18.7
|
0.6
|
|
OD1
|
C:ASN165
|
3.9
|
15.7
|
0.6
|
|
HE22
|
C:GLN8
|
3.9
|
25.9
|
1.0
|
|
N
|
C:ASN165
|
3.9
|
16.3
|
0.6
|
|
N
|
C:ASN165
|
4.0
|
16.2
|
0.4
|
|
ND2
|
C:ASN165
|
4.0
|
12.3
|
0.4
|
|
CA
|
C:ASN125
|
4.2
|
19.4
|
0.4
|
|
HB2
|
C:ASN165
|
4.2
|
17.1
|
0.4
|
|
CA
|
C:ASN125
|
4.2
|
19.5
|
0.6
|
|
CB
|
C:ASN165
|
4.2
|
15.6
|
0.6
|
|
CB
|
C:ASN165
|
4.2
|
14.2
|
0.4
|
|
HA2
|
C:GLY124
|
4.2
|
21.6
|
1.0
|
|
N
|
C:ASN125
|
4.3
|
17.8
|
1.0
|
|
CB
|
C:ASP162
|
4.3
|
15.8
|
1.0
|
|
N
|
C:ASP164
|
4.3
|
18.2
|
1.0
|
|
CA
|
C:GLY124
|
4.3
|
18.0
|
1.0
|
|
CA
|
C:ASP162
|
4.4
|
17.5
|
1.0
|
|
HA3
|
C:GLY124
|
4.4
|
21.6
|
1.0
|
|
OE1
|
C:GLN8
|
4.5
|
20.9
|
1.0
|
|
C
|
C:ASN125
|
4.6
|
17.7
|
1.0
|
|
HB2
|
C:ASP162
|
4.6
|
18.9
|
1.0
|
|
NE2
|
C:GLN8
|
4.6
|
21.6
|
1.0
|
|
C
|
C:ASP162
|
4.6
|
16.0
|
1.0
|
|
CB
|
C:ASP164
|
4.6
|
20.0
|
1.0
|
|
CA
|
C:ASN165
|
4.6
|
14.4
|
0.4
|
|
CA
|
C:ASN165
|
4.6
|
14.8
|
0.6
|
|
N
|
C:PRO163
|
4.6
|
18.0
|
1.0
|
|
CD
|
C:PRO163
|
4.6
|
22.4
|
1.0
|
|
C
|
C:ASP164
|
4.7
|
17.0
|
1.0
|
|
CA
|
C:ASP164
|
4.7
|
18.5
|
1.0
|
|
HA
|
C:ASN165
|
4.8
|
17.3
|
0.4
|
|
HD22
|
C:ASN165
|
4.8
|
14.8
|
0.4
|
|
HA
|
C:ASN165
|
4.8
|
17.7
|
0.6
|
|
O
|
C:TYR126
|
4.9
|
15.8
|
1.0
|
|
CD
|
C:GLN8
|
4.9
|
19.8
|
1.0
|
|
O
|
C:HOH407
|
4.9
|
48.2
|
1.0
|
|
N
|
C:TYR126
|
4.9
|
17.4
|
1.0
|
|
O
|
C:ASN125
|
5.0
|
20.3
|
1.0
|
|
H
|
C:TYR126
|
5.0
|
20.9
|
1.0
|
|
Sodium binding site 6 out
of 10 in 6gjf
Go back to
Sodium Binding Sites List in 6gjf
Sodium binding site 6 out
of 10 in the Ancestral Endocellulase CEL5A
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 6 of Ancestral Endocellulase CEL5A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na300
b:16.6
occ:1.00
|
OD1
|
D:ASN165
|
2.1
|
15.7
|
0.5
|
|
O
|
D:GLY124
|
2.2
|
18.1
|
1.0
|
|
OD1
|
D:ASP164
|
2.2
|
18.9
|
1.0
|
|
O
|
D:HOH635
|
2.2
|
22.5
|
1.0
|
|
OD1
|
D:ASP162
|
2.3
|
16.9
|
1.0
|
|
O
|
D:HOH497
|
2.3
|
20.4
|
1.0
|
|
CG
|
D:ASP162
|
3.1
|
15.2
|
1.0
|
|
ND2
|
D:ASN165
|
3.2
|
12.3
|
0.5
|
|
HD21
|
D:ASN165
|
3.2
|
14.8
|
0.5
|
|
CG
|
D:ASN165
|
3.3
|
14.1
|
0.5
|
|
CG
|
D:ASP164
|
3.3
|
18.7
|
1.0
|
|
H
|
D:ASN165
|
3.4
|
16.2
|
0.5
|
|
HD22
|
D:ASN165
|
3.4
|
14.8
|
0.5
|
|
C
|
D:GLY124
|
3.4
|
16.6
|
1.0
|
|
H
|
D:ASN165
|
3.4
|
16.5
|
0.5
|
|
HA
|
D:ASN125
|
3.4
|
22.5
|
0.5
|
|
H
|
D:ASP164
|
3.5
|
20.1
|
1.0
|
|
HA
|
D:ASN125
|
3.5
|
22.1
|
0.5
|
|
CG
|
D:ASN165
|
3.5
|
12.6
|
0.5
|
|
OD2
|
D:ASP162
|
3.6
|
14.4
|
1.0
|
|
HD2
|
D:PRO163
|
3.8
|
24.0
|
1.0
|
|
HA
|
D:ASP162
|
3.9
|
19.6
|
1.0
|
|
OD2
|
D:ASP164
|
3.9
|
23.3
|
1.0
|
|
OD1
|
D:ASN165
|
3.9
|
11.9
|
0.5
|
|
HE22
|
D:GLN8
|
3.9
|
25.1
|
1.0
|
|
HB2
|
D:ASN165
|
3.9
|
15.3
|
0.5
|
|
N
|
D:ASN165
|
4.0
|
13.5
|
0.5
|
|
N
|
D:ASN165
|
4.0
|
13.8
|
0.5
|
|
HD21
|
D:ASN165
|
4.0
|
16.7
|
0.5
|
|
O
|
D:HOH409
|
4.0
|
35.6
|
1.0
|
|
ND2
|
D:ASN165
|
4.1
|
13.9
|
0.5
|
|
CA
|
D:ASN125
|
4.2
|
18.7
|
0.5
|
|
CA
|
D:ASN125
|
4.2
|
18.4
|
0.5
|
|
HB2
|
D:ASN165
|
4.2
|
16.5
|
0.5
|
|
CB
|
D:ASN165
|
4.2
|
12.8
|
0.5
|
|
N
|
D:ASN125
|
4.2
|
18.1
|
1.0
|
|
N
|
D:ASP164
|
4.3
|
16.7
|
1.0
|
|
CB
|
D:ASN165
|
4.3
|
13.8
|
0.5
|
|
HA2
|
D:GLY124
|
4.3
|
19.9
|
1.0
|
|
CB
|
D:ASP162
|
4.3
|
16.3
|
1.0
|
|
CA
|
D:GLY124
|
4.3
|
16.6
|
1.0
|
|
CA
|
D:ASP162
|
4.4
|
16.3
|
1.0
|
|
HA3
|
D:GLY124
|
4.4
|
19.9
|
1.0
|
|
OE1
|
D:GLN8
|
4.5
|
20.5
|
1.0
|
|
NE2
|
D:GLN8
|
4.5
|
20.9
|
1.0
|
|
CB
|
D:ASP164
|
4.6
|
18.5
|
1.0
|
|
C
|
D:ASN125
|
4.6
|
17.0
|
1.0
|
|
CD
|
D:PRO163
|
4.6
|
20.0
|
1.0
|
|
HB2
|
D:ASP162
|
4.6
|
19.6
|
1.0
|
|
C
|
D:ASP162
|
4.6
|
17.0
|
1.0
|
|
CA
|
D:ASN165
|
4.6
|
13.4
|
0.5
|
|
CA
|
D:ASN165
|
4.6
|
14.0
|
0.5
|
|
N
|
D:PRO163
|
4.7
|
18.0
|
1.0
|
|
C
|
D:ASP164
|
4.7
|
15.2
|
1.0
|
|
CA
|
D:ASP164
|
4.7
|
15.6
|
1.0
|
|
HG2
|
D:PRO163
|
4.8
|
27.5
|
1.0
|
|
HA
|
D:ASN165
|
4.8
|
16.8
|
0.5
|
|
HA
|
D:ASN165
|
4.8
|
16.1
|
0.5
|
|
O
|
D:TYR126
|
4.8
|
16.2
|
1.0
|
|
CD
|
D:GLN8
|
4.9
|
19.7
|
1.0
|
|
HD22
|
D:ASN165
|
4.9
|
16.7
|
0.5
|
|
N
|
D:TYR126
|
5.0
|
14.7
|
1.0
|
|
OD1
|
D:ASN125
|
5.0
|
22.9
|
0.5
|
|
O
|
D:ASN125
|
5.0
|
21.5
|
1.0
|
|
Sodium binding site 7 out
of 10 in 6gjf
Go back to
Sodium Binding Sites List in 6gjf
Sodium binding site 7 out
of 10 in the Ancestral Endocellulase CEL5A
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 7 of Ancestral Endocellulase CEL5A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na301
b:17.1
occ:1.00
|
OE2
|
D:GLU132
|
2.7
|
10.9
|
1.0
|
|
HA
|
D:ASN135
|
2.7
|
10.6
|
1.0
|
|
O
|
D:HOH519
|
2.7
|
9.3
|
1.0
|
|
HB2
|
D:ALA194
|
2.8
|
13.3
|
1.0
|
|
HG3
|
D:GLU132
|
2.9
|
12.5
|
1.0
|
|
O
|
D:ASN135
|
2.9
|
10.5
|
1.0
|
|
HB3
|
D:ALA194
|
3.0
|
13.3
|
1.0
|
|
HA2
|
D:GLY170
|
3.1
|
12.7
|
1.0
|
|
CB
|
D:ALA194
|
3.2
|
11.1
|
1.0
|
|
HG
|
D:SER175
|
3.3
|
13.1
|
1.0
|
|
HA3
|
D:GLY170
|
3.3
|
12.7
|
1.0
|
|
HG2
|
D:GLU132
|
3.3
|
12.5
|
1.0
|
|
O
|
D:CYS134
|
3.3
|
10.8
|
1.0
|
|
HB1
|
D:ALA194
|
3.4
|
13.3
|
1.0
|
|
CG
|
D:GLU132
|
3.4
|
10.4
|
1.0
|
|
HG1
|
D:THR223
|
3.4
|
12.9
|
1.0
|
|
CA
|
D:ASN135
|
3.4
|
8.8
|
1.0
|
|
CD
|
D:GLU132
|
3.5
|
10.0
|
1.0
|
|
CA
|
D:GLY170
|
3.5
|
10.6
|
1.0
|
|
C
|
D:ASN135
|
3.5
|
8.6
|
1.0
|
|
H
|
D:GLY170
|
3.6
|
11.6
|
1.0
|
|
N
|
D:GLY170
|
3.6
|
9.7
|
1.0
|
|
C
|
D:CYS134
|
3.7
|
10.2
|
1.0
|
|
N
|
D:ASN135
|
3.9
|
9.7
|
1.0
|
|
HG22
|
D:ILE168
|
3.9
|
13.6
|
1.0
|
|
HE2
|
D:HIS196
|
4.0
|
12.8
|
1.0
|
|
H
|
D:CYS134
|
4.0
|
12.3
|
1.0
|
|
OG
|
D:SER175
|
4.1
|
10.9
|
1.0
|
|
OG1
|
D:THR223
|
4.1
|
10.7
|
1.0
|
|
C
|
D:VAL169
|
4.3
|
10.6
|
1.0
|
|
HE1
|
D:HIS196
|
4.3
|
11.9
|
1.0
|
|
NE2
|
D:HIS196
|
4.4
|
10.6
|
1.0
|
|
HH21
|
D:ARG59
|
4.4
|
12.3
|
1.0
|
|
H
|
D:ASN135
|
4.6
|
11.6
|
1.0
|
|
CE1
|
D:HIS196
|
4.6
|
9.9
|
1.0
|
|
OE1
|
D:GLU132
|
4.7
|
10.3
|
1.0
|
|
CA
|
D:ALA194
|
4.7
|
10.2
|
1.0
|
|
O
|
D:VAL169
|
4.8
|
11.7
|
1.0
|
|
N
|
D:CYS134
|
4.8
|
10.2
|
1.0
|
|
CG2
|
D:ILE168
|
4.8
|
11.3
|
1.0
|
|
H
|
D:ALA194
|
4.8
|
11.9
|
1.0
|
|
HG21
|
D:THR223
|
4.8
|
13.8
|
1.0
|
|
O
|
D:ILE168
|
4.8
|
11.1
|
1.0
|
|
CB
|
D:ASN135
|
4.8
|
9.9
|
1.0
|
|
HG21
|
D:ILE168
|
4.8
|
13.6
|
1.0
|
|
N
|
D:GLU136
|
4.8
|
10.1
|
1.0
|
|
CB
|
D:GLU132
|
4.8
|
11.1
|
1.0
|
|
OD1
|
D:ASN135
|
4.9
|
10.7
|
1.0
|
|
HA
|
D:VAL169
|
4.9
|
11.9
|
1.0
|
|
HD3
|
D:PRO137
|
4.9
|
13.7
|
1.0
|
|
CA
|
D:CYS134
|
4.9
|
10.4
|
1.0
|
|
C
|
D:GLY170
|
4.9
|
11.5
|
1.0
|
|
HB3
|
D:SER175
|
5.0
|
12.0
|
1.0
|
|
Sodium binding site 8 out
of 10 in 6gjf
Go back to
Sodium Binding Sites List in 6gjf
Sodium binding site 8 out
of 10 in the Ancestral Endocellulase CEL5A
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 8 of Ancestral Endocellulase CEL5A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Na304
b:16.9
occ:1.00
|
OE2
|
E:GLU132
|
2.7
|
10.9
|
1.0
|
|
HA
|
E:ASN135
|
2.7
|
12.2
|
1.0
|
|
O
|
E:HOH525
|
2.7
|
9.0
|
1.0
|
|
HB2
|
E:ALA194
|
2.8
|
13.9
|
1.0
|
|
HG3
|
E:GLU132
|
2.9
|
12.8
|
1.0
|
|
O
|
E:ASN135
|
2.9
|
11.0
|
1.0
|
|
HB3
|
E:ALA194
|
3.1
|
13.9
|
1.0
|
|
HA2
|
E:GLY170
|
3.1
|
12.8
|
1.0
|
|
HG2
|
E:GLU132
|
3.2
|
12.8
|
1.0
|
|
CB
|
E:ALA194
|
3.2
|
11.6
|
1.0
|
|
O
|
E:CYS134
|
3.3
|
10.4
|
1.0
|
|
CG
|
E:GLU132
|
3.3
|
10.6
|
1.0
|
|
HG
|
E:SER175
|
3.3
|
14.8
|
1.0
|
|
HB1
|
E:ALA194
|
3.3
|
13.9
|
1.0
|
|
HA3
|
E:GLY170
|
3.4
|
12.8
|
1.0
|
|
HG1
|
E:THR223
|
3.4
|
13.3
|
1.0
|
|
CA
|
E:ASN135
|
3.4
|
10.2
|
1.0
|
|
CD
|
E:GLU132
|
3.4
|
10.7
|
1.0
|
|
CA
|
E:GLY170
|
3.5
|
10.7
|
1.0
|
|
C
|
E:ASN135
|
3.6
|
10.6
|
1.0
|
|
H
|
E:GLY170
|
3.6
|
13.1
|
1.0
|
|
N
|
E:GLY170
|
3.6
|
10.9
|
1.0
|
|
C
|
E:CYS134
|
3.7
|
10.2
|
1.0
|
|
N
|
E:ASN135
|
3.8
|
11.2
|
1.0
|
|
H
|
E:CYS134
|
4.0
|
11.8
|
1.0
|
|
HE2
|
E:HIS196
|
4.0
|
12.5
|
1.0
|
|
HG22
|
E:ILE168
|
4.0
|
14.5
|
1.0
|
|
OG1
|
E:THR223
|
4.1
|
11.1
|
1.0
|
|
OG
|
E:SER175
|
4.1
|
12.3
|
1.0
|
|
HE1
|
E:HIS196
|
4.3
|
14.6
|
1.0
|
|
C
|
E:VAL169
|
4.3
|
10.7
|
1.0
|
|
HH21
|
E:ARG59
|
4.4
|
12.8
|
1.0
|
|
NE2
|
E:HIS196
|
4.4
|
10.4
|
1.0
|
|
H
|
E:ASN135
|
4.5
|
13.4
|
1.0
|
|
CE1
|
E:HIS196
|
4.6
|
12.2
|
1.0
|
|
OE1
|
E:GLU132
|
4.6
|
10.4
|
1.0
|
|
N
|
E:CYS134
|
4.7
|
9.8
|
1.0
|
|
CA
|
E:ALA194
|
4.7
|
11.1
|
1.0
|
|
H
|
E:ALA194
|
4.8
|
12.1
|
1.0
|
|
CB
|
E:ASN135
|
4.8
|
10.8
|
1.0
|
|
O
|
E:VAL169
|
4.8
|
10.6
|
1.0
|
|
HG21
|
E:THR223
|
4.8
|
14.1
|
1.0
|
|
O
|
E:ILE168
|
4.8
|
11.0
|
1.0
|
|
OD1
|
E:ASN135
|
4.8
|
10.7
|
1.0
|
|
CB
|
E:GLU132
|
4.8
|
10.9
|
1.0
|
|
N
|
E:GLU136
|
4.8
|
11.8
|
1.0
|
|
HA
|
E:VAL169
|
4.8
|
13.3
|
1.0
|
|
CG2
|
E:ILE168
|
4.9
|
12.1
|
1.0
|
|
CA
|
E:CYS134
|
4.9
|
10.5
|
1.0
|
|
HG21
|
E:ILE168
|
4.9
|
14.5
|
1.0
|
|
HD3
|
E:PRO137
|
4.9
|
13.6
|
1.0
|
|
Sodium binding site 9 out
of 10 in 6gjf
Go back to
Sodium Binding Sites List in 6gjf
Sodium binding site 9 out
of 10 in the Ancestral Endocellulase CEL5A
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 9 of Ancestral Endocellulase CEL5A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Na305
b:16.3
occ:1.00
|
O
|
E:GLY124
|
2.1
|
16.6
|
1.0
|
|
O
|
E:HOH501
|
2.2
|
20.1
|
1.0
|
|
OD1
|
E:ASN165
|
2.2
|
11.3
|
0.5
|
|
OD1
|
E:ASP164
|
2.2
|
19.2
|
1.0
|
|
O
|
E:HOH637
|
2.2
|
22.3
|
1.0
|
|
OD1
|
E:ASP162
|
2.3
|
14.8
|
1.0
|
|
ND2
|
E:ASN165
|
3.2
|
8.4
|
0.5
|
|
HD21
|
E:ASN165
|
3.2
|
10.1
|
0.5
|
|
CG
|
E:ASP162
|
3.2
|
14.0
|
1.0
|
|
CG
|
E:ASN165
|
3.3
|
12.4
|
0.5
|
|
CG
|
E:ASP164
|
3.3
|
18.9
|
1.0
|
|
HD22
|
E:ASN165
|
3.3
|
10.1
|
0.5
|
|
C
|
E:GLY124
|
3.4
|
15.2
|
1.0
|
|
H
|
E:ASN165
|
3.4
|
15.5
|
0.5
|
|
H
|
E:ASN165
|
3.4
|
15.8
|
0.5
|
|
H
|
E:ASP164
|
3.4
|
18.8
|
1.0
|
|
HA
|
E:ASN125
|
3.5
|
19.0
|
0.6
|
|
HA
|
E:ASN125
|
3.5
|
18.7
|
0.4
|
|
CG
|
E:ASN165
|
3.6
|
10.5
|
0.5
|
|
OD2
|
E:ASP162
|
3.6
|
12.9
|
1.0
|
|
OD2
|
E:ASP164
|
3.8
|
24.4
|
1.0
|
|
HD2
|
E:PRO163
|
3.9
|
20.6
|
1.0
|
|
N
|
E:ASN165
|
3.9
|
12.9
|
0.5
|
|
N
|
E:ASN165
|
3.9
|
13.2
|
0.5
|
|
HD21
|
E:ASN165
|
4.0
|
15.1
|
0.5
|
|
HB2
|
E:ASN165
|
4.0
|
15.2
|
0.5
|
|
HA
|
E:ASP162
|
4.0
|
16.7
|
1.0
|
|
HE22
|
E:GLN8
|
4.0
|
28.9
|
1.0
|
|
OD1
|
E:ASN165
|
4.0
|
10.9
|
0.5
|
|
ND2
|
E:ASN165
|
4.1
|
12.6
|
0.5
|
|
CA
|
E:ASN125
|
4.2
|
15.8
|
0.6
|
|
CA
|
E:ASN125
|
4.2
|
15.6
|
0.4
|
|
N
|
E:ASN125
|
4.2
|
15.0
|
1.0
|
|
HB2
|
E:ASN165
|
4.2
|
17.1
|
0.5
|
|
HA2
|
E:GLY124
|
4.2
|
18.0
|
1.0
|
|
N
|
E:ASP164
|
4.2
|
15.7
|
1.0
|
|
CB
|
E:ASN165
|
4.3
|
14.3
|
0.5
|
|
CB
|
E:ASN165
|
4.3
|
12.7
|
0.5
|
|
CA
|
E:GLY124
|
4.3
|
15.0
|
1.0
|
|
CB
|
E:ASP162
|
4.4
|
14.4
|
1.0
|
|
HA3
|
E:GLY124
|
4.4
|
18.0
|
1.0
|
|
CA
|
E:ASP162
|
4.5
|
13.9
|
1.0
|
|
CB
|
E:ASP164
|
4.5
|
17.9
|
1.0
|
|
C
|
E:ASN125
|
4.5
|
15.5
|
1.0
|
|
OE1
|
E:GLN8
|
4.5
|
17.9
|
1.0
|
|
O
|
E:HOH433
|
4.5
|
39.5
|
1.0
|
|
C
|
E:ASP164
|
4.6
|
13.9
|
1.0
|
|
CA
|
E:ASN165
|
4.6
|
13.2
|
0.5
|
|
CA
|
E:ASN165
|
4.6
|
12.5
|
0.5
|
|
CA
|
E:ASP164
|
4.6
|
15.8
|
1.0
|
|
NE2
|
E:GLN8
|
4.6
|
24.1
|
1.0
|
|
CD
|
E:PRO163
|
4.7
|
17.2
|
1.0
|
|
HB2
|
E:ASP162
|
4.7
|
17.3
|
1.0
|
|
N
|
E:PRO163
|
4.7
|
15.8
|
1.0
|
|
C
|
E:ASP162
|
4.7
|
13.0
|
1.0
|
|
O
|
E:TYR126
|
4.8
|
14.5
|
1.0
|
|
HA
|
E:ASN165
|
4.8
|
15.8
|
0.5
|
|
HA
|
E:ASN165
|
4.8
|
15.0
|
0.5
|
|
HG2
|
E:PRO163
|
4.8
|
24.5
|
1.0
|
|
HD22
|
E:ASN165
|
4.9
|
15.1
|
0.5
|
|
O
|
E:ASN125
|
4.9
|
18.2
|
1.0
|
|
CD
|
E:GLN8
|
4.9
|
20.0
|
1.0
|
|
N
|
E:TYR126
|
4.9
|
14.4
|
1.0
|
|
OD1
|
E:ASN125
|
5.0
|
26.1
|
0.4
|
|
Sodium binding site 10 out
of 10 in 6gjf
Go back to
Sodium Binding Sites List in 6gjf
Sodium binding site 10 out
of 10 in the Ancestral Endocellulase CEL5A
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 10 of Ancestral Endocellulase CEL5A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Na300
b:14.8
occ:1.00
|
O
|
F:GLY124
|
2.2
|
17.3
|
1.0
|
|
OD1
|
F:ASN165
|
2.2
|
15.0
|
0.5
|
|
OD1
|
F:ASP162
|
2.2
|
16.4
|
1.0
|
|
OD1
|
F:ASP164
|
2.3
|
19.1
|
1.0
|
|
O
|
F:HOH622
|
2.3
|
21.0
|
1.0
|
|
CG
|
F:ASP162
|
3.1
|
14.0
|
1.0
|
|
ND2
|
F:ASN165
|
3.2
|
12.9
|
0.5
|
|
HD21
|
F:ASN165
|
3.2
|
15.5
|
0.5
|
|
CG
|
F:ASN165
|
3.3
|
13.4
|
0.5
|
|
HD22
|
F:ASN165
|
3.3
|
15.5
|
0.5
|
|
C
|
F:GLY124
|
3.4
|
15.6
|
1.0
|
|
H
|
F:ASN165
|
3.4
|
15.9
|
0.5
|
|
CG
|
F:ASP164
|
3.4
|
20.4
|
1.0
|
|
H
|
F:ASN165
|
3.4
|
16.7
|
0.5
|
|
HA
|
F:ASN125
|
3.5
|
19.7
|
0.5
|
|
HA
|
F:ASN125
|
3.5
|
20.4
|
0.5
|
|
H
|
F:ASP164
|
3.5
|
20.1
|
1.0
|
|
OD2
|
F:ASP162
|
3.6
|
13.8
|
1.0
|
|
CG
|
F:ASN165
|
3.6
|
11.7
|
0.5
|
|
HD2
|
F:PRO163
|
3.9
|
25.5
|
1.0
|
|
HA
|
F:ASP162
|
3.9
|
18.5
|
1.0
|
|
OD2
|
F:ASP164
|
3.9
|
24.0
|
1.0
|
|
HB2
|
F:ASN165
|
3.9
|
14.2
|
0.5
|
|
N
|
F:ASN165
|
4.0
|
13.2
|
0.5
|
|
OD1
|
F:ASN165
|
4.0
|
12.2
|
0.5
|
|
N
|
F:ASN165
|
4.0
|
13.9
|
0.5
|
|
HE22
|
F:GLN8
|
4.0
|
25.0
|
1.0
|
|
HD21
|
F:ASN165
|
4.0
|
16.8
|
0.5
|
|
ND2
|
F:ASN165
|
4.1
|
14.0
|
0.5
|
|
O
|
F:HOH435
|
4.1
|
44.4
|
1.0
|
|
HB2
|
F:ASN165
|
4.1
|
16.3
|
0.5
|
|
CA
|
F:ASN125
|
4.2
|
16.4
|
0.5
|
|
CA
|
F:ASN125
|
4.2
|
17.0
|
0.5
|
|
N
|
F:ASN125
|
4.2
|
15.1
|
1.0
|
|
CB
|
F:ASN165
|
4.2
|
13.6
|
0.5
|
|
HA2
|
F:GLY124
|
4.2
|
18.1
|
1.0
|
|
CB
|
F:ASN165
|
4.2
|
11.9
|
0.5
|
|
CB
|
F:ASP162
|
4.3
|
14.9
|
1.0
|
|
N
|
F:ASP164
|
4.3
|
16.8
|
1.0
|
|
CA
|
F:GLY124
|
4.3
|
15.1
|
1.0
|
|
HA3
|
F:GLY124
|
4.4
|
18.1
|
1.0
|
|
O
|
F:HOH412
|
4.4
|
40.9
|
1.0
|
|
CA
|
F:ASP162
|
4.4
|
15.4
|
1.0
|
|
OE1
|
F:GLN8
|
4.5
|
19.4
|
1.0
|
|
C
|
F:ASN125
|
4.6
|
17.0
|
1.0
|
|
HB2
|
F:ASP162
|
4.6
|
17.9
|
1.0
|
|
CB
|
F:ASP164
|
4.6
|
18.4
|
1.0
|
|
C
|
F:ASP162
|
4.6
|
15.2
|
1.0
|
|
CA
|
F:ASN165
|
4.6
|
14.4
|
0.5
|
|
CA
|
F:ASN165
|
4.6
|
13.6
|
0.5
|
|
NE2
|
F:GLN8
|
4.6
|
20.8
|
1.0
|
|
C
|
F:ASP164
|
4.7
|
14.0
|
1.0
|
|
CD
|
F:PRO163
|
4.7
|
21.2
|
1.0
|
|
CA
|
F:ASP164
|
4.7
|
17.3
|
1.0
|
|
N
|
F:PRO163
|
4.7
|
17.0
|
1.0
|
|
HD22
|
F:ASN125
|
4.7
|
32.4
|
0.5
|
|
HA
|
F:ASN165
|
4.8
|
17.3
|
0.5
|
|
HA
|
F:ASN165
|
4.8
|
16.3
|
0.5
|
|
O
|
F:TYR126
|
4.9
|
14.7
|
1.0
|
|
HD22
|
F:ASN165
|
4.9
|
16.8
|
0.5
|
|
O
|
F:HOH432
|
4.9
|
41.7
|
1.0
|
|
N
|
F:TYR126
|
4.9
|
12.8
|
1.0
|
|
H
|
F:TYR126
|
4.9
|
15.4
|
1.0
|
|
CD
|
F:GLN8
|
4.9
|
19.2
|
1.0
|
|
HG2
|
F:PRO163
|
4.9
|
27.4
|
1.0
|
|
Reference:
N.Barruetabena-Garate,
B.Alonso-Lerma,
A.Galera-Prat,
N.Joudeh,
L.Barandiaran,
L.Aldazabal,
M.Arbulu,
M.Alcalde,
D.De Sancho,
J.A.Gavira,
M.Carrion-Vazquez,
R.Perez-Jimenez.
Resurrection of Efficient Precambrian Endoglucanases For Lignocellulosic Biomass Hydrolysis Commun Chem 2019.
ISSN: ESSN 2399-3669
DOI: 10.1038/S42004-019-0176-6
Page generated: Tue Oct 8 09:01:56 2024
|
