Zinc in PDB 4uov: The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.
Enzymatic activity of The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.
All present enzymatic activity of The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.:
4.2.1.1;
Protein crystallography data
The structure of The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability., PDB code: 4uov
was solved by
P.James,
M.Isupov,
C.Sayer,
S.Berg,
M.Lioliou,
H.Kotlar,
J.Littlechild,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
42.01 /
1.85
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
163.750,
283.020,
52.170,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.181 /
20.404
|
Other elements in 4uov:
The structure of The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.
(pdb code 4uov). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the
The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability., PDB code: 4uov:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
Zinc binding site 1 out
of 6 in 4uov
Go back to
Zinc Binding Sites List in 4uov
Zinc binding site 1 out
of 6 in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn298
b:19.4
occ:1.00
|
N1
|
A:AZM299
|
2.0
|
21.6
|
1.0
|
NE2
|
A:HIS114
|
2.1
|
18.7
|
1.0
|
NE2
|
A:HIS112
|
2.1
|
19.4
|
1.0
|
ND1
|
A:HIS131
|
2.1
|
14.7
|
1.0
|
CD2
|
A:HIS112
|
3.0
|
18.6
|
1.0
|
CE1
|
A:HIS131
|
3.0
|
14.1
|
1.0
|
CE1
|
A:HIS114
|
3.0
|
20.7
|
1.0
|
CD2
|
A:HIS114
|
3.1
|
16.6
|
1.0
|
O2
|
A:AZM299
|
3.1
|
21.5
|
1.0
|
S1
|
A:AZM299
|
3.1
|
23.4
|
1.0
|
CE1
|
A:HIS112
|
3.1
|
19.8
|
1.0
|
CG
|
A:HIS131
|
3.2
|
14.6
|
1.0
|
CB
|
A:HIS131
|
3.6
|
14.1
|
1.0
|
OE1
|
A:GLU118
|
3.8
|
19.1
|
1.0
|
OG1
|
A:THR198
|
4.0
|
17.2
|
1.0
|
NE2
|
A:HIS131
|
4.1
|
15.7
|
1.0
|
CG
|
A:HIS112
|
4.1
|
19.3
|
1.0
|
ND1
|
A:HIS114
|
4.2
|
18.0
|
1.0
|
C1
|
A:AZM299
|
4.2
|
28.6
|
1.0
|
ND1
|
A:HIS112
|
4.2
|
19.2
|
1.0
|
CG
|
A:HIS114
|
4.2
|
18.0
|
1.0
|
O1
|
A:AZM299
|
4.2
|
23.6
|
1.0
|
CD2
|
A:HIS131
|
4.2
|
13.2
|
1.0
|
CD
|
A:GLU118
|
4.8
|
20.0
|
1.0
|
N3
|
A:AZM299
|
4.8
|
31.1
|
1.0
|
|
Zinc binding site 2 out
of 6 in 4uov
Go back to
Zinc Binding Sites List in 4uov
Zinc binding site 2 out
of 6 in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn298
b:17.4
occ:1.00
|
N1
|
B:AZM299
|
1.9
|
19.5
|
1.0
|
ND1
|
B:HIS131
|
2.1
|
13.8
|
1.0
|
NE2
|
B:HIS114
|
2.1
|
15.1
|
1.0
|
NE2
|
B:HIS112
|
2.1
|
18.2
|
1.0
|
CE1
|
B:HIS131
|
2.9
|
14.7
|
1.0
|
CD2
|
B:HIS114
|
3.0
|
15.8
|
1.0
|
CD2
|
B:HIS112
|
3.0
|
19.1
|
1.0
|
O2
|
B:AZM299
|
3.1
|
17.9
|
1.0
|
S1
|
B:AZM299
|
3.1
|
21.2
|
1.0
|
CE1
|
B:HIS112
|
3.1
|
19.7
|
1.0
|
CE1
|
B:HIS114
|
3.1
|
17.7
|
1.0
|
CG
|
B:HIS131
|
3.2
|
12.2
|
1.0
|
CB
|
B:HIS131
|
3.6
|
13.1
|
1.0
|
OE1
|
B:GLU118
|
3.8
|
17.9
|
1.0
|
OG1
|
B:THR198
|
4.0
|
18.0
|
1.0
|
NE2
|
B:HIS131
|
4.1
|
12.8
|
1.0
|
O1
|
B:AZM299
|
4.1
|
22.0
|
1.0
|
C1
|
B:AZM299
|
4.2
|
29.1
|
1.0
|
CG
|
B:HIS114
|
4.2
|
13.5
|
1.0
|
CG
|
B:HIS112
|
4.2
|
17.3
|
1.0
|
ND1
|
B:HIS114
|
4.2
|
16.1
|
1.0
|
ND1
|
B:HIS112
|
4.2
|
17.2
|
1.0
|
CD2
|
B:HIS131
|
4.2
|
13.5
|
1.0
|
CD
|
B:GLU118
|
4.8
|
18.0
|
1.0
|
N3
|
B:AZM299
|
4.9
|
33.6
|
1.0
|
|
Zinc binding site 3 out
of 6 in 4uov
Go back to
Zinc Binding Sites List in 4uov
Zinc binding site 3 out
of 6 in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn298
b:20.3
occ:1.00
|
N1
|
C:AZM299
|
2.0
|
21.8
|
1.0
|
NE2
|
C:HIS112
|
2.0
|
21.6
|
1.0
|
ND1
|
C:HIS131
|
2.1
|
16.4
|
1.0
|
NE2
|
C:HIS114
|
2.1
|
20.3
|
1.0
|
CE1
|
C:HIS131
|
2.9
|
14.9
|
1.0
|
CD2
|
C:HIS112
|
3.0
|
20.5
|
1.0
|
CD2
|
C:HIS114
|
3.0
|
19.5
|
1.0
|
O2
|
C:AZM299
|
3.1
|
17.7
|
1.0
|
CE1
|
C:HIS112
|
3.1
|
21.0
|
1.0
|
S1
|
C:AZM299
|
3.1
|
23.0
|
1.0
|
CG
|
C:HIS131
|
3.2
|
15.3
|
1.0
|
CE1
|
C:HIS114
|
3.2
|
19.4
|
1.0
|
O
|
C:HOH2162
|
3.5
|
47.1
|
1.0
|
CB
|
C:HIS131
|
3.6
|
15.4
|
1.0
|
OE1
|
C:GLU118
|
3.8
|
21.2
|
1.0
|
OG1
|
C:THR198
|
4.0
|
17.3
|
1.0
|
NE2
|
C:HIS131
|
4.1
|
16.3
|
1.0
|
CG
|
C:HIS112
|
4.1
|
20.4
|
1.0
|
ND1
|
C:HIS112
|
4.1
|
20.9
|
1.0
|
C1
|
C:AZM299
|
4.1
|
25.5
|
1.0
|
O1
|
C:AZM299
|
4.2
|
23.8
|
1.0
|
CG
|
C:HIS114
|
4.2
|
18.8
|
1.0
|
CD2
|
C:HIS131
|
4.2
|
15.4
|
1.0
|
ND1
|
C:HIS114
|
4.2
|
20.6
|
1.0
|
CD
|
C:GLU118
|
4.8
|
19.5
|
1.0
|
N3
|
C:AZM299
|
4.8
|
28.4
|
1.0
|
|
Zinc binding site 4 out
of 6 in 4uov
Go back to
Zinc Binding Sites List in 4uov
Zinc binding site 4 out
of 6 in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn298
b:20.1
occ:1.00
|
N1
|
D:AZM299
|
2.0
|
24.0
|
1.0
|
NE2
|
D:HIS112
|
2.1
|
19.8
|
1.0
|
ND1
|
D:HIS131
|
2.1
|
17.8
|
1.0
|
NE2
|
D:HIS114
|
2.1
|
17.1
|
1.0
|
CD2
|
D:HIS112
|
2.9
|
22.4
|
1.0
|
CE1
|
D:HIS131
|
3.0
|
16.8
|
1.0
|
CD2
|
D:HIS114
|
3.0
|
16.9
|
1.0
|
O2
|
D:AZM299
|
3.0
|
18.7
|
1.0
|
S1
|
D:AZM299
|
3.1
|
25.8
|
1.0
|
CE1
|
D:HIS114
|
3.1
|
19.4
|
1.0
|
CE1
|
D:HIS112
|
3.2
|
24.4
|
1.0
|
CG
|
D:HIS131
|
3.2
|
15.6
|
1.0
|
O
|
D:HOH2119
|
3.5
|
52.1
|
1.0
|
CB
|
D:HIS131
|
3.6
|
16.6
|
1.0
|
OE1
|
D:GLU118
|
3.9
|
20.7
|
1.0
|
OG1
|
D:THR198
|
4.1
|
19.8
|
1.0
|
CG
|
D:HIS112
|
4.1
|
25.6
|
1.0
|
NE2
|
D:HIS131
|
4.1
|
16.2
|
1.0
|
C1
|
D:AZM299
|
4.2
|
28.3
|
1.0
|
CG
|
D:HIS114
|
4.2
|
19.5
|
1.0
|
O1
|
D:AZM299
|
4.2
|
25.7
|
1.0
|
ND1
|
D:HIS112
|
4.2
|
21.4
|
1.0
|
ND1
|
D:HIS114
|
4.2
|
17.3
|
1.0
|
CD2
|
D:HIS131
|
4.2
|
15.4
|
1.0
|
N3
|
D:AZM299
|
4.8
|
32.7
|
1.0
|
CD
|
D:GLU118
|
4.8
|
20.5
|
1.0
|
|
Zinc binding site 5 out
of 6 in 4uov
Go back to
Zinc Binding Sites List in 4uov
Zinc binding site 5 out
of 6 in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn298
b:18.8
occ:1.00
|
N1
|
E:AZM299
|
1.9
|
21.7
|
1.0
|
NE2
|
E:HIS112
|
2.0
|
16.7
|
1.0
|
NE2
|
E:HIS114
|
2.1
|
18.7
|
1.0
|
ND1
|
E:HIS131
|
2.1
|
14.8
|
1.0
|
CD2
|
E:HIS112
|
2.9
|
18.4
|
1.0
|
CE1
|
E:HIS131
|
3.0
|
14.2
|
1.0
|
O2
|
E:AZM299
|
3.0
|
18.3
|
1.0
|
CD2
|
E:HIS114
|
3.0
|
18.9
|
1.0
|
S1
|
E:AZM299
|
3.1
|
22.3
|
1.0
|
CE1
|
E:HIS112
|
3.1
|
17.6
|
1.0
|
CE1
|
E:HIS114
|
3.1
|
18.4
|
1.0
|
CG
|
E:HIS131
|
3.2
|
14.3
|
1.0
|
CB
|
E:HIS131
|
3.6
|
14.7
|
1.0
|
OE1
|
E:GLU118
|
3.9
|
19.6
|
1.0
|
OG1
|
E:THR198
|
4.0
|
18.7
|
1.0
|
CG
|
E:HIS112
|
4.1
|
16.8
|
1.0
|
C1
|
E:AZM299
|
4.1
|
25.7
|
1.0
|
ND1
|
E:HIS112
|
4.1
|
17.9
|
1.0
|
O1
|
E:AZM299
|
4.2
|
24.7
|
1.0
|
NE2
|
E:HIS131
|
4.2
|
14.4
|
1.0
|
CG
|
E:HIS114
|
4.2
|
17.6
|
1.0
|
ND1
|
E:HIS114
|
4.2
|
18.9
|
1.0
|
CD2
|
E:HIS131
|
4.3
|
13.3
|
1.0
|
N3
|
E:AZM299
|
4.8
|
30.6
|
1.0
|
CD
|
E:GLU118
|
4.8
|
22.3
|
1.0
|
|
Zinc binding site 6 out
of 6 in 4uov
Go back to
Zinc Binding Sites List in 4uov
Zinc binding site 6 out
of 6 in the The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability.
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of The Structure of A Tetrameric Alpha-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides, Which Contribute to Its Thermostability. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Zn298
b:17.1
occ:1.00
|
N1
|
F:AZM299
|
1.9
|
19.6
|
1.0
|
ND1
|
F:HIS131
|
2.0
|
13.4
|
1.0
|
NE2
|
F:HIS112
|
2.1
|
15.5
|
1.0
|
NE2
|
F:HIS114
|
2.1
|
12.7
|
1.0
|
CE1
|
F:HIS131
|
2.9
|
14.1
|
1.0
|
CD2
|
F:HIS112
|
3.0
|
16.8
|
1.0
|
S1
|
F:AZM299
|
3.0
|
19.7
|
1.0
|
CD2
|
F:HIS114
|
3.1
|
15.7
|
1.0
|
O2
|
F:AZM299
|
3.1
|
18.4
|
1.0
|
CE1
|
F:HIS112
|
3.1
|
17.5
|
1.0
|
CE1
|
F:HIS114
|
3.1
|
16.0
|
1.0
|
CG
|
F:HIS131
|
3.2
|
14.8
|
1.0
|
CB
|
F:HIS131
|
3.6
|
11.4
|
1.0
|
OE1
|
F:GLU118
|
3.8
|
19.9
|
1.0
|
OG1
|
F:THR198
|
4.0
|
16.6
|
1.0
|
NE2
|
F:HIS131
|
4.1
|
14.2
|
1.0
|
C1
|
F:AZM299
|
4.1
|
25.2
|
1.0
|
O1
|
F:AZM299
|
4.2
|
17.8
|
1.0
|
CG
|
F:HIS112
|
4.2
|
15.6
|
1.0
|
ND1
|
F:HIS112
|
4.2
|
15.5
|
1.0
|
CG
|
F:HIS114
|
4.2
|
13.2
|
1.0
|
ND1
|
F:HIS114
|
4.2
|
12.8
|
1.0
|
CD2
|
F:HIS131
|
4.2
|
12.8
|
1.0
|
N3
|
F:AZM299
|
4.8
|
25.3
|
1.0
|
CD
|
F:GLU118
|
4.9
|
18.3
|
1.0
|
|
Reference:
P.James,
M.N.Isupov,
C.Sayer,
V.Saneei,
S.Berg,
M.Lioliou,
H.Kotlar,
J.Littlechild.
The Structure of A Tetrameric [Alpha]-Carbonic Anhydrase From Thermovibrio Ammonificans Reveals A Core Formed Around Intermolecular Disulfides That Contribute to Its Thermostability Acta Crystallogr.,Sect.D V. 70 2607 2014.
ISSN: ISSN 0907-4449
PubMed: 25286845
DOI: 10.1107/S1399004714016526
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