Molybdenum in PDB 8cgs: Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Antimony Oxyanion
Enzymatic activity of Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Antimony Oxyanion
All present enzymatic activity of Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Antimony Oxyanion:
1.20.9.1;
Protein crystallography data
The structure of Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Antimony Oxyanion, PDB code: 8cgs
was solved by
F.Engrola,
M.A.S.Correia,
M.J.Romao,
T.Santos-Silva,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
116.27 /
1.84
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
90.378,
109.21,
117.342,
97.71,
90.06,
96.28
|
R / Rfree (%)
|
15.4 /
18.9
|
Other elements in 8cgs:
The structure of Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Antimony Oxyanion also contains other interesting chemical elements:
Molybdenum Binding Sites:
The binding sites of Molybdenum atom in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Antimony Oxyanion
(pdb code 8cgs). This binding sites where shown within
5.0 Angstroms radius around Molybdenum atom.
In total 4 binding sites of Molybdenum where determined in the
Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Antimony Oxyanion, PDB code: 8cgs:
Jump to Molybdenum binding site number:
1;
2;
3;
4;
Molybdenum binding site 1 out
of 4 in 8cgs
Go back to
Molybdenum Binding Sites List in 8cgs
Molybdenum binding site 1 out
of 4 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Antimony Oxyanion
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 1 of Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Antimony Oxyanion within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mo5004
b:19.4
occ:1.00
|
O
|
A:O5003
|
1.8
|
23.9
|
1.0
|
S13
|
A:MGD5001
|
2.3
|
14.9
|
1.0
|
S13
|
A:MGD5002
|
2.4
|
14.8
|
1.0
|
S12
|
A:MGD5001
|
2.4
|
15.5
|
1.0
|
S12
|
A:MGD5002
|
2.4
|
16.9
|
1.0
|
O04
|
A:UJI5010
|
3.2
|
36.3
|
1.0
|
C13
|
A:MGD5002
|
3.3
|
14.8
|
1.0
|
C13
|
A:MGD5001
|
3.3
|
15.4
|
1.0
|
C12
|
A:MGD5001
|
3.3
|
14.0
|
1.0
|
C12
|
A:MGD5002
|
3.4
|
15.3
|
1.0
|
SB02
|
A:UJI5010
|
3.5
|
27.6
|
0.4
|
NH2
|
A:ARG702
|
3.7
|
15.6
|
1.0
|
O05
|
A:UJI5010
|
3.9
|
35.8
|
1.0
|
ND2
|
A:ASN196
|
3.9
|
17.6
|
1.0
|
NZ
|
A:LYS385
|
4.0
|
16.1
|
1.0
|
CE
|
A:LYS385
|
4.3
|
15.1
|
1.0
|
ND1
|
A:HIS423
|
4.3
|
14.1
|
1.0
|
CA
|
A:GLY422
|
4.4
|
15.0
|
1.0
|
CE1
|
A:HIS423
|
4.7
|
15.6
|
1.0
|
CZ
|
A:ARG702
|
4.7
|
16.0
|
1.0
|
C14
|
A:MGD5002
|
4.7
|
14.7
|
1.0
|
N
|
A:HIS423
|
4.7
|
12.9
|
1.0
|
C14
|
A:MGD5001
|
4.8
|
15.0
|
1.0
|
NE2
|
A:GLN708
|
4.8
|
19.4
|
1.0
|
C11
|
A:MGD5001
|
4.8
|
15.7
|
1.0
|
C11
|
A:MGD5002
|
4.8
|
16.1
|
1.0
|
CB
|
A:ASN196
|
4.8
|
16.6
|
1.0
|
OE1
|
A:GLN708
|
4.9
|
16.6
|
1.0
|
CG
|
A:ASN196
|
4.9
|
16.2
|
1.0
|
C
|
A:GLY422
|
4.9
|
13.8
|
1.0
|
NE2
|
A:HIS195
|
4.9
|
19.0
|
1.0
|
|
Molybdenum binding site 2 out
of 4 in 8cgs
Go back to
Molybdenum Binding Sites List in 8cgs
Molybdenum binding site 2 out
of 4 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Antimony Oxyanion
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 2 of Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Antimony Oxyanion within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mo5104
b:18.4
occ:1.00
|
O
|
C:O5103
|
2.0
|
28.2
|
1.0
|
O04
|
C:UJI5109
|
2.3
|
41.9
|
1.0
|
S13
|
C:MGD5101
|
2.3
|
16.2
|
1.0
|
S13
|
C:MGD5102
|
2.4
|
12.9
|
1.0
|
S12
|
C:MGD5101
|
2.4
|
14.0
|
1.0
|
S12
|
C:MGD5102
|
2.4
|
14.8
|
1.0
|
C13
|
C:MGD5102
|
3.3
|
13.7
|
1.0
|
C12
|
C:MGD5102
|
3.4
|
13.2
|
1.0
|
C13
|
C:MGD5101
|
3.4
|
14.4
|
1.0
|
C12
|
C:MGD5101
|
3.4
|
14.1
|
1.0
|
SB02
|
C:UJI5109
|
3.6
|
29.9
|
0.4
|
NH2
|
C:ARG702
|
3.7
|
13.1
|
1.0
|
NZ
|
C:LYS385
|
3.8
|
14.8
|
1.0
|
ND2
|
C:ASN196
|
4.0
|
14.9
|
1.0
|
O03
|
C:UJI5109
|
4.1
|
38.6
|
1.0
|
ND1
|
C:HIS423
|
4.3
|
14.3
|
1.0
|
CA
|
C:GLY422
|
4.3
|
14.4
|
1.0
|
CE
|
C:LYS385
|
4.4
|
14.6
|
1.0
|
N
|
C:HIS423
|
4.7
|
13.2
|
1.0
|
CZ
|
C:ARG702
|
4.7
|
13.9
|
1.0
|
CE1
|
C:HIS423
|
4.7
|
15.5
|
1.0
|
C14
|
C:MGD5102
|
4.7
|
13.2
|
1.0
|
C14
|
C:MGD5101
|
4.8
|
14.2
|
1.0
|
CB
|
C:ASN196
|
4.8
|
14.9
|
1.0
|
C11
|
C:MGD5102
|
4.8
|
13.5
|
1.0
|
C11
|
C:MGD5101
|
4.9
|
15.1
|
1.0
|
O01
|
C:UJI5109
|
4.9
|
33.8
|
1.0
|
OE1
|
C:GLN708
|
4.9
|
14.4
|
1.0
|
CG
|
C:ASN196
|
4.9
|
14.9
|
1.0
|
NE2
|
C:GLN708
|
4.9
|
15.7
|
1.0
|
C
|
C:GLY422
|
4.9
|
13.5
|
1.0
|
NE2
|
C:HIS195
|
5.0
|
15.6
|
1.0
|
|
Molybdenum binding site 3 out
of 4 in 8cgs
Go back to
Molybdenum Binding Sites List in 8cgs
Molybdenum binding site 3 out
of 4 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Antimony Oxyanion
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 3 of Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Antimony Oxyanion within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mo5004
b:19.2
occ:1.00
|
O
|
E:O5003
|
1.9
|
26.6
|
1.0
|
S13
|
E:MGD5002
|
2.4
|
12.4
|
1.0
|
S13
|
E:MGD5001
|
2.4
|
16.5
|
1.0
|
S12
|
E:MGD5001
|
2.4
|
15.4
|
1.0
|
S12
|
E:MGD5002
|
2.5
|
15.8
|
1.0
|
O04
|
E:UJI5009
|
2.7
|
37.4
|
1.0
|
C13
|
E:MGD5002
|
3.3
|
14.3
|
1.0
|
C12
|
E:MGD5002
|
3.4
|
14.4
|
1.0
|
C13
|
E:MGD5001
|
3.4
|
15.5
|
1.0
|
C12
|
E:MGD5001
|
3.4
|
14.2
|
1.0
|
SB02
|
E:UJI5009
|
3.5
|
25.4
|
0.4
|
NH2
|
E:ARG702
|
3.7
|
14.5
|
1.0
|
ND2
|
E:ASN196
|
3.9
|
18.9
|
1.0
|
NZ
|
E:LYS385
|
4.0
|
18.3
|
1.0
|
O05
|
E:UJI5009
|
4.2
|
33.4
|
1.0
|
ND1
|
E:HIS423
|
4.3
|
14.8
|
1.0
|
CA
|
E:GLY422
|
4.4
|
14.7
|
1.0
|
CE
|
E:LYS385
|
4.4
|
16.3
|
1.0
|
CE1
|
E:HIS423
|
4.7
|
15.5
|
1.0
|
CZ
|
E:ARG702
|
4.7
|
14.7
|
1.0
|
N
|
E:HIS423
|
4.7
|
14.3
|
1.0
|
C14
|
E:MGD5002
|
4.7
|
14.6
|
1.0
|
CB
|
E:ASN196
|
4.8
|
18.0
|
1.0
|
C14
|
E:MGD5001
|
4.8
|
15.0
|
1.0
|
C11
|
E:MGD5002
|
4.9
|
14.8
|
1.0
|
O01
|
E:UJI5009
|
4.9
|
28.4
|
1.0
|
C11
|
E:MGD5001
|
4.9
|
14.4
|
1.0
|
CG
|
E:ASN196
|
4.9
|
18.7
|
1.0
|
OE1
|
E:GLN708
|
4.9
|
19.2
|
1.0
|
NE2
|
E:HIS195
|
4.9
|
18.1
|
1.0
|
NE2
|
E:GLN708
|
4.9
|
19.7
|
1.0
|
C
|
E:GLY422
|
4.9
|
14.3
|
1.0
|
|
Molybdenum binding site 4 out
of 4 in 8cgs
Go back to
Molybdenum Binding Sites List in 8cgs
Molybdenum binding site 4 out
of 4 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Antimony Oxyanion
Mono view
Stereo pair view
|
A full contact list of Molybdenum with other atoms in the Mo binding
site number 4 of Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Antimony Oxyanion within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mo5004
b:19.7
occ:1.00
|
O
|
G:O5003
|
2.0
|
25.5
|
1.0
|
S13
|
G:MGD5002
|
2.4
|
15.3
|
1.0
|
S13
|
G:MGD5001
|
2.4
|
19.9
|
1.0
|
S12
|
G:MGD5002
|
2.4
|
16.1
|
1.0
|
S12
|
G:MGD5001
|
2.5
|
15.6
|
1.0
|
O01
|
G:UJI5010
|
3.0
|
37.7
|
1.0
|
C13
|
G:MGD5002
|
3.3
|
16.2
|
1.0
|
C12
|
G:MGD5002
|
3.3
|
15.9
|
1.0
|
C13
|
G:MGD5001
|
3.4
|
16.0
|
1.0
|
C12
|
G:MGD5001
|
3.4
|
16.1
|
1.0
|
SB02
|
G:UJI5010
|
3.5
|
29.9
|
0.4
|
NH2
|
G:ARG702
|
3.7
|
15.6
|
1.0
|
NZ
|
G:LYS385
|
3.9
|
17.4
|
1.0
|
ND2
|
G:ASN196
|
3.9
|
20.1
|
1.0
|
O03
|
G:UJI5010
|
4.0
|
34.9
|
1.0
|
CA
|
G:GLY422
|
4.3
|
16.6
|
1.0
|
CE
|
G:LYS385
|
4.3
|
16.1
|
1.0
|
ND1
|
G:HIS423
|
4.4
|
17.8
|
1.0
|
N
|
G:HIS423
|
4.7
|
14.2
|
1.0
|
CZ
|
G:ARG702
|
4.7
|
15.2
|
1.0
|
C14
|
G:MGD5002
|
4.8
|
16.0
|
1.0
|
C14
|
G:MGD5001
|
4.8
|
15.8
|
1.0
|
CB
|
G:ASN196
|
4.8
|
17.2
|
1.0
|
CE1
|
G:HIS423
|
4.8
|
17.8
|
1.0
|
C11
|
G:MGD5002
|
4.8
|
16.0
|
1.0
|
O04
|
G:UJI5010
|
4.8
|
37.5
|
1.0
|
C11
|
G:MGD5001
|
4.9
|
16.4
|
1.0
|
NE2
|
G:GLN708
|
4.9
|
17.5
|
1.0
|
CG
|
G:ASN196
|
4.9
|
18.6
|
1.0
|
OE1
|
G:GLN708
|
4.9
|
18.1
|
1.0
|
C
|
G:GLY422
|
4.9
|
15.3
|
1.0
|
NE2
|
G:HIS195
|
4.9
|
17.5
|
1.0
|
|
Reference:
F.Engrola,
M.A.S.Correia,
M.J.Romao,
T.Santos-Silva.
Arsenite Oxidase in Complex with Antimonite and Arsenite Oxyanions - Insights Into the Catalytic Mechanism To Be Published.
Page generated: Sun Oct 6 17:40:02 2024
|