Sodium in PDB 6ymz: Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043
Enzymatic activity of Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043
All present enzymatic activity of Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043:
3.1.1.61;
3.5.1.44;
Protein crystallography data
The structure of Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043, PDB code: 6ymz
was solved by
J.A.Gavira,
T.Krell,
F.Velando-Soriano,
M.A.Matilla,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
63.31 /
2.30
|
Space group
|
I 4
|
Cell size a, b, c (Å), α, β, γ (°)
|
148.741,
148.741,
206.34,
90,
90,
90
|
R / Rfree (%)
|
19.2 /
22.6
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043
(pdb code 6ymz). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 8 binding sites of Sodium where determined in the
Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043, PDB code: 6ymz:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Sodium binding site 1 out
of 8 in 6ymz
Go back to
Sodium Binding Sites List in 6ymz
Sodium binding site 1 out
of 8 in the Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na402
b:38.9
occ:1.00
|
O
|
A:ILE210
|
2.4
|
27.1
|
1.0
|
O
|
A:ASN205
|
2.4
|
30.2
|
1.0
|
O
|
A:CYS208
|
2.5
|
27.7
|
1.0
|
OD1
|
A:ASN205
|
2.7
|
23.4
|
1.0
|
C
|
A:ASN205
|
3.4
|
31.4
|
1.0
|
C
|
A:CYS208
|
3.5
|
24.2
|
1.0
|
CG
|
A:ASN205
|
3.5
|
24.2
|
1.0
|
C
|
A:ILE210
|
3.5
|
22.0
|
1.0
|
CA
|
A:ASN205
|
3.7
|
29.5
|
1.0
|
O
|
A:GLN209
|
4.0
|
25.3
|
1.0
|
C
|
A:GLN209
|
4.1
|
30.8
|
1.0
|
CA
|
A:THR211
|
4.1
|
21.8
|
1.0
|
CA
|
A:CYS208
|
4.2
|
25.1
|
1.0
|
CB
|
A:ASN205
|
4.2
|
26.1
|
1.0
|
CB
|
A:CYS208
|
4.2
|
26.6
|
1.0
|
N
|
A:THR211
|
4.2
|
22.5
|
1.0
|
N
|
A:CYS208
|
4.3
|
29.4
|
1.0
|
O
|
A:HOH573
|
4.3
|
57.9
|
1.0
|
ND2
|
A:ASN205
|
4.3
|
23.8
|
1.0
|
N
|
A:ILE210
|
4.4
|
25.3
|
1.0
|
N
|
A:GLN209
|
4.4
|
23.3
|
1.0
|
N
|
A:VAL212
|
4.5
|
23.8
|
1.0
|
CA
|
A:GLN209
|
4.5
|
28.3
|
1.0
|
N
|
A:LYS206
|
4.6
|
34.5
|
0.5
|
N
|
A:LYS206
|
4.6
|
34.5
|
0.5
|
CA
|
A:ILE210
|
4.6
|
21.2
|
1.0
|
C
|
A:THR211
|
4.8
|
24.2
|
1.0
|
O
|
A:LEU204
|
4.9
|
22.4
|
1.0
|
|
Sodium binding site 2 out
of 8 in 6ymz
Go back to
Sodium Binding Sites List in 6ymz
Sodium binding site 2 out
of 8 in the Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na404
b:57.3
occ:1.00
|
O
|
A:HIS26
|
2.4
|
40.6
|
1.0
|
O
|
A:ASN24
|
2.5
|
42.0
|
1.0
|
NZ
|
A:LYS3
|
2.6
|
68.4
|
1.0
|
O
|
A:MET29
|
2.6
|
39.0
|
1.0
|
C
|
A:ASN24
|
3.3
|
41.2
|
1.0
|
C
|
A:HIS26
|
3.5
|
42.8
|
1.0
|
CA
|
A:ASN24
|
3.6
|
47.4
|
1.0
|
C
|
A:MET29
|
3.8
|
36.8
|
1.0
|
CE
|
A:LYS3
|
3.8
|
68.5
|
1.0
|
O
|
A:ILE23
|
4.0
|
47.2
|
1.0
|
CA
|
A:PRO27
|
4.1
|
47.4
|
1.0
|
CD
|
A:LYS3
|
4.2
|
68.2
|
1.0
|
N
|
A:HIS26
|
4.2
|
42.9
|
1.0
|
N
|
A:PRO27
|
4.3
|
45.6
|
1.0
|
C
|
A:PRO27
|
4.4
|
48.1
|
1.0
|
CB
|
A:ASN24
|
4.4
|
47.4
|
1.0
|
N
|
A:SER25
|
4.5
|
34.0
|
1.0
|
N
|
A:MET29
|
4.5
|
42.6
|
1.0
|
CA
|
A:HIS26
|
4.5
|
41.1
|
1.0
|
O
|
A:PRO27
|
4.6
|
54.1
|
1.0
|
CA
|
A:GLU30
|
4.6
|
39.8
|
1.0
|
CB
|
A:GLU30
|
4.6
|
50.1
|
1.0
|
C
|
A:SER25
|
4.7
|
44.3
|
1.0
|
N
|
A:GLU30
|
4.7
|
38.2
|
1.0
|
N
|
A:ASN24
|
4.7
|
44.1
|
1.0
|
C
|
A:ILE23
|
4.8
|
44.7
|
1.0
|
CA
|
A:MET29
|
4.8
|
37.6
|
1.0
|
OD1
|
A:ASN24
|
4.9
|
43.0
|
1.0
|
N
|
A:ASP28
|
4.9
|
43.2
|
1.0
|
CA
|
A:SER25
|
5.0
|
38.6
|
1.0
|
|
Sodium binding site 3 out
of 8 in 6ymz
Go back to
Sodium Binding Sites List in 6ymz
Sodium binding site 3 out
of 8 in the Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na401
b:55.0
occ:1.00
|
O
|
B:HOH579
|
2.0
|
44.5
|
1.0
|
O
|
B:HIS26
|
2.4
|
41.5
|
1.0
|
O
|
B:ASN24
|
2.6
|
38.3
|
1.0
|
O
|
B:MET29
|
2.6
|
36.4
|
1.0
|
C
|
B:ASN24
|
3.4
|
33.3
|
1.0
|
C
|
B:HIS26
|
3.5
|
39.3
|
1.0
|
CA
|
B:ASN24
|
3.6
|
32.4
|
1.0
|
NZ
|
B:LYS3
|
3.7
|
56.3
|
1.0
|
C
|
B:MET29
|
3.8
|
37.7
|
1.0
|
O
|
B:ILE23
|
4.0
|
30.6
|
1.0
|
CE
|
B:LYS3
|
4.0
|
50.7
|
1.0
|
CA
|
B:PRO27
|
4.1
|
41.5
|
1.0
|
CD
|
B:LYS3
|
4.3
|
44.9
|
1.0
|
N
|
B:HIS26
|
4.3
|
35.5
|
1.0
|
C
|
B:PRO27
|
4.3
|
38.9
|
1.0
|
N
|
B:PRO27
|
4.3
|
41.3
|
1.0
|
N
|
B:MET29
|
4.4
|
29.8
|
1.0
|
O
|
B:PRO27
|
4.4
|
42.2
|
1.0
|
N
|
B:SER25
|
4.5
|
32.1
|
1.0
|
CB
|
B:ASN24
|
4.5
|
35.5
|
1.0
|
CA
|
B:HIS26
|
4.5
|
37.3
|
1.0
|
C
|
B:SER25
|
4.7
|
33.0
|
1.0
|
N
|
B:ASN24
|
4.7
|
28.7
|
1.0
|
CA
|
B:GLU30
|
4.7
|
31.1
|
1.0
|
N
|
B:GLU30
|
4.7
|
32.4
|
1.0
|
C
|
B:ILE23
|
4.8
|
28.4
|
1.0
|
CA
|
B:MET29
|
4.8
|
33.9
|
1.0
|
CB
|
B:GLU30
|
4.8
|
38.3
|
1.0
|
OD1
|
B:ASN24
|
4.8
|
38.7
|
1.0
|
N
|
B:ASP28
|
4.8
|
38.6
|
1.0
|
CA
|
B:SER25
|
5.0
|
33.5
|
1.0
|
|
Sodium binding site 4 out
of 8 in 6ymz
Go back to
Sodium Binding Sites List in 6ymz
Sodium binding site 4 out
of 8 in the Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na402
b:54.5
occ:1.00
|
O
|
B:HOH589
|
2.1
|
48.7
|
1.0
|
O
|
B:ILE210
|
2.5
|
35.5
|
1.0
|
O
|
B:CYS208
|
2.5
|
39.4
|
1.0
|
O
|
B:ASN205
|
2.5
|
41.0
|
1.0
|
OD1
|
B:ASN205
|
2.6
|
33.2
|
1.0
|
C
|
B:ASN205
|
3.5
|
38.0
|
1.0
|
C
|
B:ILE210
|
3.5
|
29.5
|
1.0
|
CG
|
B:ASN205
|
3.6
|
34.0
|
1.0
|
C
|
B:CYS208
|
3.6
|
41.5
|
1.0
|
CA
|
B:ASN205
|
3.9
|
32.4
|
1.0
|
O
|
B:GLN209
|
3.9
|
37.1
|
1.0
|
CA
|
B:THR211
|
4.0
|
30.7
|
1.0
|
C
|
B:GLN209
|
4.0
|
35.4
|
1.0
|
N
|
B:THR211
|
4.2
|
26.8
|
1.0
|
CB
|
B:ASN205
|
4.3
|
29.2
|
1.0
|
ND2
|
B:ASN205
|
4.4
|
29.2
|
1.0
|
N
|
B:ILE210
|
4.4
|
31.8
|
1.0
|
CA
|
B:CYS208
|
4.5
|
42.1
|
1.0
|
N
|
B:CYS208
|
4.5
|
47.6
|
1.0
|
N
|
B:GLN209
|
4.5
|
40.7
|
1.0
|
CA
|
B:GLN209
|
4.5
|
38.8
|
1.0
|
N
|
B:VAL212
|
4.6
|
27.4
|
1.0
|
CA
|
B:ILE210
|
4.6
|
33.1
|
1.0
|
CB
|
B:CYS208
|
4.7
|
39.9
|
1.0
|
N
|
B:LYS206
|
4.7
|
40.6
|
1.0
|
C
|
B:THR211
|
4.8
|
29.3
|
1.0
|
OG1
|
B:THR211
|
4.9
|
31.8
|
1.0
|
O
|
B:LEU204
|
5.0
|
31.1
|
1.0
|
|
Sodium binding site 5 out
of 8 in 6ymz
Go back to
Sodium Binding Sites List in 6ymz
Sodium binding site 5 out
of 8 in the Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na402
b:42.1
occ:1.00
|
O
|
C:GLY231
|
2.3
|
35.8
|
1.0
|
O
|
C:ARG258
|
2.5
|
29.0
|
1.0
|
O
|
C:MET192
|
2.5
|
33.3
|
1.0
|
C
|
C:GLY231
|
3.4
|
34.4
|
1.0
|
C
|
C:MET192
|
3.5
|
29.6
|
1.0
|
C
|
C:ARG258
|
3.6
|
31.5
|
1.0
|
CD
|
C:PRO259
|
3.6
|
23.9
|
1.0
|
CA
|
C:GLY231
|
3.8
|
26.5
|
1.0
|
CA
|
C:PRO193
|
3.9
|
28.5
|
1.0
|
N
|
C:PRO259
|
4.0
|
28.4
|
1.0
|
N
|
C:PRO193
|
4.1
|
31.1
|
1.0
|
N
|
C:MET192
|
4.2
|
20.7
|
1.0
|
CD
|
C:PRO194
|
4.4
|
32.3
|
1.0
|
C
|
C:PRO193
|
4.5
|
32.8
|
1.0
|
CA
|
C:MET192
|
4.5
|
28.3
|
1.0
|
N
|
C:ALA232
|
4.6
|
31.1
|
1.0
|
N
|
C:PRO194
|
4.7
|
37.7
|
1.0
|
CA
|
C:ARG258
|
4.8
|
27.1
|
1.0
|
N
|
C:ARG258
|
5.0
|
26.2
|
1.0
|
CG
|
C:PRO259
|
5.0
|
27.7
|
1.0
|
CA
|
C:ALA232
|
5.0
|
39.2
|
1.0
|
|
Sodium binding site 6 out
of 8 in 6ymz
Go back to
Sodium Binding Sites List in 6ymz
Sodium binding site 6 out
of 8 in the Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 6 of Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na403
b:34.3
occ:1.00
|
O
|
C:ILE210
|
2.4
|
25.7
|
1.0
|
O
|
C:ASN205
|
2.5
|
32.4
|
1.0
|
O
|
C:CYS208
|
2.5
|
26.1
|
1.0
|
OD1
|
C:ASN205
|
2.7
|
19.3
|
1.0
|
O
|
C:HOH609
|
2.7
|
43.4
|
1.0
|
CG
|
C:ASN205
|
3.5
|
18.6
|
1.0
|
C
|
C:ILE210
|
3.5
|
20.1
|
1.0
|
C
|
C:CYS208
|
3.5
|
22.4
|
1.0
|
C
|
C:ASN205
|
3.5
|
30.4
|
1.0
|
CA
|
C:ASN205
|
3.9
|
25.8
|
1.0
|
O
|
C:GLN209
|
4.0
|
27.1
|
1.0
|
C
|
C:GLN209
|
4.0
|
24.1
|
1.0
|
O
|
C:HOH613
|
4.1
|
60.0
|
1.0
|
CA
|
C:THR211
|
4.1
|
15.8
|
1.0
|
N
|
C:THR211
|
4.2
|
21.1
|
1.0
|
ND2
|
C:ASN205
|
4.2
|
26.8
|
1.0
|
CA
|
C:CYS208
|
4.3
|
20.9
|
1.0
|
CB
|
C:ASN205
|
4.3
|
18.2
|
1.0
|
N
|
C:CYS208
|
4.4
|
26.3
|
1.0
|
CB
|
C:CYS208
|
4.4
|
21.3
|
1.0
|
N
|
C:ILE210
|
4.4
|
21.8
|
1.0
|
N
|
C:GLN209
|
4.4
|
24.5
|
1.0
|
CA
|
C:GLN209
|
4.5
|
25.5
|
1.0
|
N
|
C:VAL212
|
4.6
|
20.6
|
1.0
|
CA
|
C:ILE210
|
4.6
|
19.6
|
1.0
|
N
|
C:LYS206
|
4.7
|
31.7
|
0.4
|
N
|
C:LYS206
|
4.7
|
31.4
|
0.6
|
C
|
C:THR211
|
4.8
|
22.8
|
1.0
|
|
Sodium binding site 7 out
of 8 in 6ymz
Go back to
Sodium Binding Sites List in 6ymz
Sodium binding site 7 out
of 8 in the Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 7 of Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na401
b:44.8
occ:1.00
|
O
|
D:ASN205
|
2.5
|
29.9
|
1.0
|
O
|
D:ILE210
|
2.5
|
29.4
|
1.0
|
OD1
|
D:ASN205
|
2.5
|
28.4
|
1.0
|
O
|
D:CYS208
|
2.7
|
44.0
|
1.0
|
C
|
D:ASN205
|
3.4
|
30.8
|
1.0
|
CG
|
D:ASN205
|
3.4
|
31.2
|
1.0
|
C
|
D:ILE210
|
3.5
|
26.5
|
1.0
|
C
|
D:CYS208
|
3.7
|
40.4
|
1.0
|
CA
|
D:ASN205
|
3.7
|
24.5
|
1.0
|
O
|
D:GLN209
|
3.9
|
32.8
|
1.0
|
CA
|
D:THR211
|
4.0
|
29.1
|
1.0
|
C
|
D:GLN209
|
4.1
|
33.2
|
1.0
|
N
|
D:THR211
|
4.1
|
25.5
|
1.0
|
CB
|
D:ASN205
|
4.2
|
20.4
|
1.0
|
ND2
|
D:ASN205
|
4.2
|
29.4
|
1.0
|
CA
|
D:CYS208
|
4.4
|
35.5
|
1.0
|
N
|
D:CYS208
|
4.5
|
35.4
|
1.0
|
N
|
D:ILE210
|
4.5
|
28.6
|
1.0
|
CB
|
D:CYS208
|
4.5
|
35.7
|
1.0
|
N
|
D:VAL212
|
4.5
|
33.0
|
1.0
|
N
|
D:GLN209
|
4.6
|
37.9
|
1.0
|
N
|
D:LYS206
|
4.6
|
37.8
|
1.0
|
CA
|
D:GLN209
|
4.6
|
37.9
|
1.0
|
CA
|
D:ILE210
|
4.6
|
22.3
|
1.0
|
C
|
D:THR211
|
4.8
|
31.2
|
1.0
|
O
|
D:LEU204
|
4.9
|
29.0
|
1.0
|
OG1
|
D:THR211
|
5.0
|
37.3
|
1.0
|
|
Sodium binding site 8 out
of 8 in 6ymz
Go back to
Sodium Binding Sites List in 6ymz
Sodium binding site 8 out
of 8 in the Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 8 of Structure of the Cheb Methylsterase From P. Atrosepticum SCRI1043 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Na401
b:46.4
occ:1.00
|
O
|
E:ILE210
|
2.5
|
40.6
|
1.0
|
O
|
E:CYS208
|
2.5
|
58.1
|
1.0
|
O
|
E:ASN205
|
2.6
|
60.4
|
1.0
|
OD1
|
E:ASN205
|
2.6
|
42.1
|
1.0
|
C
|
E:ILE210
|
3.5
|
46.3
|
1.0
|
CG
|
E:ASN205
|
3.5
|
41.6
|
1.0
|
C
|
E:ASN205
|
3.6
|
56.8
|
1.0
|
C
|
E:CYS208
|
3.6
|
57.5
|
1.0
|
O
|
E:GLN209
|
3.7
|
56.4
|
1.0
|
CA
|
E:ASN205
|
3.8
|
48.8
|
1.0
|
C
|
E:GLN209
|
3.9
|
58.2
|
1.0
|
CA
|
E:THR211
|
4.1
|
48.0
|
1.0
|
N
|
E:THR211
|
4.1
|
47.1
|
1.0
|
CB
|
E:ASN205
|
4.3
|
40.1
|
1.0
|
ND2
|
E:ASN205
|
4.3
|
40.5
|
1.0
|
N
|
E:ILE210
|
4.4
|
53.6
|
1.0
|
CA
|
E:CYS208
|
4.4
|
58.2
|
1.0
|
N
|
E:GLN209
|
4.5
|
61.7
|
1.0
|
CB
|
E:CYS208
|
4.5
|
61.4
|
1.0
|
CA
|
E:GLN209
|
4.5
|
63.4
|
1.0
|
N
|
E:CYS208
|
4.5
|
54.8
|
1.0
|
CA
|
E:ILE210
|
4.6
|
52.0
|
1.0
|
N
|
E:VAL212
|
4.6
|
42.4
|
1.0
|
N
|
E:LYS206
|
4.8
|
59.6
|
0.6
|
N
|
E:LYS206
|
4.8
|
59.6
|
0.4
|
C
|
E:THR211
|
4.8
|
45.8
|
1.0
|
O
|
E:LEU204
|
5.0
|
40.4
|
1.0
|
|
Reference:
F.Velando,
J.A.Gavira,
M.Rico-Jimenez,
M.A.Matilla,
T.Krell.
Evidence For Pentapeptide-Dependent and Independent Cheb Methylesterases. Int J Mol Sci V. 21 2020.
ISSN: ESSN 1422-0067
PubMed: 33187094
DOI: 10.3390/IJMS21228459
Page generated: Tue Oct 8 15:10:29 2024
|