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Molybdenum in PDB 8cff: Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenite

Enzymatic activity of Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenite

All present enzymatic activity of Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenite:
1.20.9.1;

Protein crystallography data

The structure of Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenite, PDB code: 8cff 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) 65.62 / 1.57
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 90.306, 108.982, 116.892, 97.5, 90.21, 96.06
R / Rfree (%) 16.8 / 20.4

Other elements in 8cff:

The structure of Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenite also contains other interesting chemical elements:

Iron (Fe) 20 atoms
Arsenic (As) 4 atoms

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenite (pdb code 8cff). 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 Arsenite, PDB code: 8cff:
Jump to Molybdenum binding site number: 1; 2; 3; 4;

Molybdenum binding site 1 out of 4 in 8cff

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Molybdenum binding site 1 out of 4 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenite


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 Arsenite within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo903

b:9.9
occ:1.00
 O2 A:AST907 1.7 13.4 1.0
S13 A:MGD902 2.3 8.1 1.0
S13 A:MGD901 2.4 9.8 1.0
S12 A:MGD902 2.4 9.7 1.0
S12 A:MGD901 2.4 9.2 1.0
C13 A:MGD902 3.3 8.7 1.0
AS A:AST907 3.3 15.0 0.2
C12 A:MGD902 3.4 8.6 1.0
C12 A:MGD901 3.4 9.2 1.0
C13 A:MGD901 3.4 9.2 1.0
NH2 A:ARG702 3.7 10.1 1.0
O3 A:AST907 3.7 15.7 1.0
NZ A:LYS385 3.9 9.9 1.0
ND2 A:ASN196 3.9 9.0 1.0
CE A:LYS385 4.2 10.0 1.0
CA A:GLY422 4.2 9.3 1.0
ND1 A:HIS423 4.3 9.7 1.0
CZ A:ARG702 4.6 10.6 1.0
CE1 A:HIS423 4.7 9.7 1.0
C14 A:MGD902 4.7 8.6 1.0
N A:HIS423 4.7 9.5 1.0
CB A:ASN196 4.8 8.9 1.0
C11 A:MGD902 4.8 8.7 1.0
OE1 A:GLN708 4.8 10.4 1.0
O1 A:AST907 4.8 14.2 1.0
C14 A:MGD901 4.8 9.3 1.0
C11 A:MGD901 4.9 9.3 1.0
CG A:ASN196 4.9 9.5 1.0
C A:GLY422 4.9 9.3 1.0
NE2 A:GLN708 4.9 9.5 1.0
NE2 A:HIS195 5.0 9.9 1.0

Molybdenum binding site 2 out of 4 in 8cff

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Molybdenum binding site 2 out of 4 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenite


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 Arsenite within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mo901

b:10.3
occ:1.00
 O2 C:AST905 1.8 11.5 1.0
S13 C:MGD903 2.3 9.6 1.0
S13 C:MGD902 2.3 9.9 1.0
S12 C:MGD902 2.4 10.2 1.0
S12 C:MGD903 2.4 9.3 1.0
AS C:AST905 3.3 13.2 0.2
C13 C:MGD902 3.3 9.5 1.0
C12 C:MGD902 3.4 9.8 1.0
C13 C:MGD903 3.4 9.8 1.0
C12 C:MGD903 3.4 9.8 1.0
NH2 C:ARG702 3.6 10.6 1.0
O1 C:AST905 3.6 13.9 1.0
NZ C:LYS385 3.8 9.4 1.0
ND2 C:ASN196 4.0 10.9 1.0
CE C:LYS385 4.2 9.1 1.0
CA C:GLY422 4.2 10.2 1.0
ND1 C:HIS423 4.4 9.4 1.0
CZ C:ARG702 4.7 10.9 1.0
CE1 C:HIS423 4.7 9.2 1.0
C14 C:MGD903 4.8 9.8 1.0
N C:HIS423 4.8 9.8 1.0
C14 C:MGD902 4.8 9.8 1.0
C11 C:MGD902 4.8 9.7 1.0
CB C:ASN196 4.8 10.4 1.0
OE1 C:GLN708 4.8 10.8 1.0
C11 C:MGD903 4.8 9.7 1.0
C C:GLY422 4.9 9.9 1.0
CG C:ASN196 4.9 10.9 1.0
NE2 C:GLN708 4.9 10.1 1.0
O3 C:AST905 5.0 12.9 1.0
NE2 C:HIS195 5.0 9.5 1.0

Molybdenum binding site 3 out of 4 in 8cff

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Molybdenum binding site 3 out of 4 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenite


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 Arsenite within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mo902

b:10.2
occ:1.00
 O3 E:AST906 1.7 12.9 1.0
S13 E:MGD903 2.3 10.9 1.0
S13 E:MGD901 2.3 10.1 1.0
S12 E:MGD903 2.4 10.5 1.0
S12 E:MGD901 2.4 9.6 1.0
C13 E:MGD903 3.3 9.9 1.0
AS E:AST906 3.3 14.0 0.2
C12 E:MGD903 3.3 10.2 1.0
C13 E:MGD901 3.4 9.5 1.0
C12 E:MGD901 3.4 9.4 1.0
NH2 E:ARG702 3.7 10.8 1.0
O1 E:AST906 3.7 14.8 1.0
ND2 E:ASN196 3.9 10.4 1.0
NZ E:LYS385 4.0 9.9 1.0
CE E:LYS385 4.2 9.9 1.0
CA E:GLY422 4.2 10.0 1.0
ND1 E:HIS423 4.4 9.4 1.0
CZ E:ARG702 4.6 11.1 1.0
CE1 E:HIS423 4.7 9.9 1.0
C14 E:MGD903 4.7 10.4 1.0
N E:HIS423 4.8 10.0 1.0
CB E:ASN196 4.8 10.4 1.0
C11 E:MGD903 4.8 9.6 1.0
C14 E:MGD901 4.8 9.5 1.0
C11 E:MGD901 4.8 9.6 1.0
C E:GLY422 4.9 9.7 1.0
CG E:ASN196 4.9 10.7 1.0
O2 E:AST906 4.9 13.3 1.0
NE2 E:GLN708 4.9 10.2 1.0
OE1 E:GLN708 5.0 9.9 1.0

Molybdenum binding site 4 out of 4 in 8cff

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Molybdenum binding site 4 out of 4 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenite


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 Arsenite within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mo901

b:9.9
occ:1.00
 O1 G:AST906 2.0 12.3 1.0
S13 G:MGD903 2.3 9.3 1.0
S13 G:MGD902 2.3 9.5 1.0
S12 G:MGD903 2.4 9.4 1.0
S12 G:MGD902 2.4 9.2 1.0
AS G:AST906 3.3 12.7 0.2
C13 G:MGD903 3.3 8.3 1.0
C12 G:MGD903 3.4 8.6 1.0
C12 G:MGD902 3.4 9.3 1.0
C13 G:MGD902 3.4 9.6 1.0
NH2 G:ARG702 3.7 10.6 1.0
O3 G:AST906 3.8 13.1 1.0
NZ G:LYS385 3.9 9.3 1.0
ND2 G:ASN196 3.9 9.3 1.0
CE G:LYS385 4.3 9.3 1.0
CA G:GLY422 4.3 9.6 1.0
ND1 G:HIS423 4.3 9.4 1.0
CE1 G:HIS423 4.6 9.2 1.0
CZ G:ARG702 4.7 11.1 1.0
C14 G:MGD903 4.7 8.3 1.0
CB G:ASN196 4.8 9.7 1.0
C11 G:MGD903 4.8 8.5 1.0
N G:HIS423 4.8 9.5 1.0
C14 G:MGD902 4.8 10.0 1.0
OE1 G:GLN708 4.8 9.8 1.0
C11 G:MGD902 4.8 9.8 1.0
CG G:ASN196 4.9 10.0 1.0
C G:GLY422 4.9 9.2 1.0
O2 G:AST906 4.9 12.4 1.0
NE2 G:GLN708 5.0 10.2 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

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