Sodium in PDB 4jqt: Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution
Protein crystallography data
The structure of Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution, PDB code: 4jqt
was solved by
Joint Center For Structural Genomics (Jcsg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.22 /
2.49
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
85.554,
87.648,
141.824,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
16.7 /
21.4
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution
(pdb code 4jqt). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the
Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution, PDB code: 4jqt:
Jump to Sodium binding site number:
1;
2;
3;
4;
Sodium binding site 1 out
of 4 in 4jqt
Go back to
Sodium Binding Sites List in 4jqt
Sodium binding site 1 out
of 4 in the Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na501
b:41.0
occ:1.00
|
OE1
|
A:GLU109
|
2.2
|
51.9
|
1.0
|
OE1
|
A:GLN107
|
2.4
|
51.4
|
1.0
|
O
|
A:SER86
|
2.6
|
53.4
|
1.0
|
OD1
|
A:ASN85
|
2.6
|
60.5
|
1.0
|
OE1
|
A:GLN185
|
2.7
|
43.7
|
1.0
|
O
|
A:HOH791
|
3.0
|
39.5
|
1.0
|
O
|
A:HOH790
|
3.1
|
36.9
|
1.0
|
C
|
A:SER86
|
3.3
|
54.3
|
1.0
|
CD
|
A:GLU109
|
3.4
|
61.4
|
1.0
|
CD
|
A:GLN107
|
3.5
|
45.1
|
1.0
|
CG
|
A:ASN85
|
3.6
|
73.9
|
1.0
|
CD
|
A:GLN185
|
3.7
|
52.6
|
1.0
|
NE2
|
A:GLN107
|
3.9
|
38.7
|
1.0
|
OE2
|
A:GLU109
|
4.0
|
52.2
|
1.0
|
N
|
A:GLY87
|
4.0
|
47.9
|
1.0
|
ND2
|
A:ASN85
|
4.0
|
65.2
|
1.0
|
NE2
|
A:GLN185
|
4.0
|
52.0
|
1.0
|
CA
|
A:SER86
|
4.1
|
54.2
|
1.0
|
N
|
A:SER86
|
4.1
|
57.6
|
1.0
|
CA
|
A:GLY87
|
4.2
|
44.9
|
1.0
|
CG
|
A:GLU109
|
4.6
|
48.6
|
1.0
|
CA
|
A:GLU109
|
4.7
|
38.7
|
1.0
|
N
|
A:ILE110
|
4.7
|
46.1
|
1.0
|
CG
|
A:GLN107
|
4.7
|
38.1
|
1.0
|
C
|
A:ASN85
|
4.7
|
64.6
|
1.0
|
CB
|
A:ASN85
|
4.9
|
64.0
|
1.0
|
O
|
A:ILE110
|
4.9
|
54.5
|
1.0
|
CB
|
A:GLU109
|
5.0
|
41.1
|
1.0
|
|
Sodium binding site 2 out
of 4 in 4jqt
Go back to
Sodium Binding Sites List in 4jqt
Sodium binding site 2 out
of 4 in the Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na502
b:29.5
occ:1.00
|
OE1
|
A:GLN335
|
2.3
|
25.4
|
1.0
|
OE2
|
A:GLU333
|
2.3
|
27.8
|
1.0
|
O
|
A:SER312
|
2.4
|
22.3
|
1.0
|
OE1
|
A:GLN432
|
2.5
|
28.8
|
1.0
|
OD1
|
A:ASN311
|
2.6
|
31.3
|
1.0
|
O
|
A:HOH613
|
2.9
|
26.2
|
1.0
|
C
|
A:SER312
|
3.3
|
22.7
|
1.0
|
CD
|
A:GLU333
|
3.4
|
35.3
|
1.0
|
CD
|
A:GLN335
|
3.4
|
27.3
|
1.0
|
CD
|
A:GLN432
|
3.5
|
29.2
|
1.0
|
CG
|
A:ASN311
|
3.7
|
30.2
|
1.0
|
OE1
|
A:GLU333
|
3.8
|
31.5
|
1.0
|
NE2
|
A:GLN335
|
3.9
|
14.0
|
1.0
|
NE2
|
A:GLN432
|
4.0
|
20.9
|
1.0
|
N
|
A:SER312
|
4.0
|
19.8
|
1.0
|
CA
|
A:SER312
|
4.1
|
19.6
|
1.0
|
N
|
A:GLY313
|
4.2
|
18.3
|
1.0
|
ND2
|
A:ASN311
|
4.2
|
24.6
|
1.0
|
CA
|
A:GLY313
|
4.3
|
17.2
|
1.0
|
O
|
A:ILE336
|
4.3
|
21.8
|
1.0
|
CD2
|
A:HIS434
|
4.5
|
29.7
|
1.0
|
N
|
A:ILE336
|
4.6
|
22.0
|
1.0
|
CG
|
A:GLU333
|
4.6
|
21.5
|
1.0
|
CG
|
A:GLN335
|
4.7
|
20.2
|
1.0
|
CA
|
A:GLN335
|
4.7
|
20.2
|
1.0
|
CG
|
A:GLN432
|
4.8
|
19.8
|
1.0
|
C
|
A:ASN311
|
4.9
|
24.7
|
1.0
|
CD1
|
A:TYR359
|
4.9
|
19.9
|
1.0
|
CB
|
A:ASN311
|
5.0
|
19.2
|
1.0
|
|
Sodium binding site 3 out
of 4 in 4jqt
Go back to
Sodium Binding Sites List in 4jqt
Sodium binding site 3 out
of 4 in the Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na501
b:36.7
occ:1.00
|
OE1
|
B:GLU109
|
2.2
|
36.5
|
1.0
|
OE1
|
B:GLN107
|
2.2
|
49.7
|
1.0
|
O
|
B:SER86
|
2.3
|
41.6
|
1.0
|
O
|
B:HOH650
|
2.6
|
28.0
|
1.0
|
OD1
|
B:ASN85
|
2.8
|
56.2
|
1.0
|
OE1
|
B:GLN185
|
2.9
|
58.9
|
1.0
|
O
|
B:HOH718
|
3.3
|
22.6
|
1.0
|
CD
|
B:GLN107
|
3.3
|
52.9
|
1.0
|
CD
|
B:GLU109
|
3.4
|
59.8
|
1.0
|
C
|
B:SER86
|
3.4
|
42.6
|
1.0
|
CG
|
B:ASN85
|
3.7
|
66.1
|
1.0
|
NE2
|
B:GLN107
|
3.8
|
40.1
|
1.0
|
CD
|
B:GLN185
|
3.9
|
59.9
|
1.0
|
OE2
|
B:GLU109
|
3.9
|
54.5
|
1.0
|
NE2
|
B:GLN185
|
4.1
|
47.2
|
1.0
|
ND2
|
B:ASN85
|
4.1
|
55.2
|
1.0
|
N
|
B:GLY87
|
4.3
|
36.6
|
1.0
|
CA
|
B:GLY87
|
4.3
|
34.4
|
1.0
|
CA
|
B:SER86
|
4.4
|
42.2
|
1.0
|
N
|
B:SER86
|
4.5
|
44.3
|
1.0
|
CG
|
B:GLN107
|
4.6
|
44.8
|
1.0
|
CG
|
B:GLU109
|
4.6
|
48.9
|
1.0
|
CA
|
B:GLU109
|
4.7
|
34.0
|
1.0
|
CD2
|
B:HIS187
|
4.7
|
53.2
|
1.0
|
N
|
B:ILE110
|
4.8
|
32.5
|
1.0
|
CB
|
B:GLU109
|
4.9
|
36.2
|
1.0
|
C
|
B:ASN85
|
5.0
|
49.5
|
1.0
|
|
Sodium binding site 4 out
of 4 in 4jqt
Go back to
Sodium Binding Sites List in 4jqt
Sodium binding site 4 out
of 4 in the Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Crystal Structure of A Putative Glycosyl Hydrolase (BT3469) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.49 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na502
b:24.4
occ:1.00
|
OE1
|
B:GLN335
|
2.2
|
15.3
|
1.0
|
OE2
|
B:GLU333
|
2.3
|
28.8
|
1.0
|
O
|
B:SER312
|
2.4
|
27.3
|
1.0
|
OD1
|
B:ASN311
|
2.6
|
30.9
|
1.0
|
OE1
|
B:GLN432
|
2.6
|
28.2
|
1.0
|
O
|
B:HOH798
|
2.9
|
32.4
|
1.0
|
C
|
B:SER312
|
3.3
|
27.4
|
1.0
|
CD
|
B:GLU333
|
3.4
|
30.1
|
1.0
|
CD
|
B:GLN335
|
3.4
|
24.9
|
1.0
|
CD
|
B:GLN432
|
3.6
|
33.5
|
1.0
|
O
|
B:HOH639
|
3.7
|
49.1
|
1.0
|
CG
|
B:ASN311
|
3.7
|
40.9
|
1.0
|
OE1
|
B:GLU333
|
3.8
|
34.2
|
1.0
|
NE2
|
B:GLN335
|
3.9
|
18.0
|
1.0
|
NE2
|
B:GLN432
|
4.0
|
24.1
|
1.0
|
N
|
B:SER312
|
4.1
|
21.9
|
1.0
|
CA
|
B:SER312
|
4.1
|
21.9
|
1.0
|
N
|
B:GLY313
|
4.2
|
23.2
|
1.0
|
ND2
|
B:ASN311
|
4.2
|
34.5
|
1.0
|
O
|
B:ILE336
|
4.3
|
25.1
|
1.0
|
CA
|
B:GLY313
|
4.3
|
22.5
|
1.0
|
N
|
B:ILE336
|
4.5
|
21.7
|
1.0
|
CD2
|
B:HIS434
|
4.5
|
28.9
|
1.0
|
CG
|
B:GLU333
|
4.6
|
24.0
|
1.0
|
CG
|
B:GLN335
|
4.6
|
18.9
|
1.0
|
CA
|
B:GLN335
|
4.7
|
17.7
|
1.0
|
C
|
B:ASN311
|
4.9
|
27.5
|
1.0
|
CD1
|
B:TYR359
|
4.9
|
18.5
|
1.0
|
CG
|
B:GLN432
|
4.9
|
25.3
|
1.0
|
CB
|
B:GLN335
|
4.9
|
18.9
|
1.0
|
CB
|
B:ASN311
|
5.0
|
25.6
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Mon Oct 7 16:21:22 2024
|