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Molybdenum in PDB 8ch9: Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion

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

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

Protein crystallography data

The structure of Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion, PDB code: 8ch9 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) 65.47 / 1.43
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 90.288, 109.95, 117.424, 98.33, 89.97, 96.58
R / Rfree (%) 16.7 / 19.5

Other elements in 8ch9:

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

Arsenic (As) 4 atoms
Iron (Fe) 24 atoms

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion (pdb code 8ch9). 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 Arsenic Oxyanion, PDB code: 8ch9:
Jump to Molybdenum binding site number: 1; 2; 3; 4;

Molybdenum binding site 1 out of 4 in 8ch9

Go back to Molybdenum Binding Sites List in 8ch9
Molybdenum binding site 1 out of 4 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic 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 Arsenic Oxyanion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo905

b:8.6
occ:0.95
 O1 A:ART906 2.0 13.5 1.0
O A:HOH1002 2.0 11.1 1.0
S13 A:MGD901 2.3 9.4 1.0
S13 A:MGD902 2.3 10.1 1.0
S12 A:MGD902 2.4 9.4 1.0
S12 A:MGD901 2.4 9.6 1.0
AS A:ART906 3.1 10.0 0.8
C13 A:MGD902 3.4 7.5 1.0
C13 A:MGD901 3.4 9.3 1.0
C12 A:MGD902 3.4 8.0 1.0
C12 A:MGD901 3.5 8.6 1.0
NH2 A:ARG702 3.8 8.9 1.0
O2 A:ART906 4.0 11.2 1.0
ND2 A:ASN196 4.0 10.3 1.0
NZ A:LYS385 4.1 9.3 1.0
ND1 A:HIS423 4.1 9.4 1.0
O4 A:ART906 4.2 13.9 1.0
CA A:GLY422 4.4 8.2 1.0
CE A:LYS385 4.4 8.9 1.0
O3 A:ART906 4.5 11.6 0.8
CE1 A:HIS423 4.5 9.5 1.0
CB A:ASN196 4.7 8.6 1.0
N A:HIS423 4.7 9.4 1.0
NE2 A:HIS195 4.7 8.9 1.0
CZ A:ARG702 4.8 9.5 1.0
C14 A:MGD902 4.8 8.5 1.0
C14 A:MGD901 4.8 8.5 1.0
C11 A:MGD902 4.8 9.0 1.0
C11 A:MGD901 4.8 7.7 1.0
NE2 A:GLN708 4.9 9.7 1.0
CG A:ASN196 4.9 9.5 1.0
C A:GLY422 4.9 9.2 1.0
OE1 A:GLN708 5.0 8.1 1.0

Molybdenum binding site 2 out of 4 in 8ch9

Go back to Molybdenum Binding Sites List in 8ch9
Molybdenum binding site 2 out of 4 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic 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 Arsenic Oxyanion within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mo909

b:11.3
occ:1.00
 O C:HOH1002 1.9 11.7 1.0
O3 C:ART904 2.2 16.1 1.0
S13 C:MGD901 2.3 10.3 1.0
S12 C:MGD902 2.3 12.7 1.0
S12 C:MGD901 2.4 11.7 1.0
S13 C:MGD902 2.4 12.7 1.0
AS C:ART904 3.1 10.8 0.7
C13 C:MGD901 3.3 9.4 1.0
C13 C:MGD902 3.4 9.3 1.0
C12 C:MGD901 3.4 9.6 1.0
C12 C:MGD902 3.4 12.5 1.0
NH2 C:ARG702 3.8 10.0 1.0
O1 C:ART904 3.9 12.6 1.0
ND2 C:ASN196 4.0 13.6 1.0
ND1 C:HIS423 4.1 10.8 1.0
NZ C:LYS385 4.1 13.5 1.0
O2 C:ART904 4.2 18.8 1.0
CA C:GLY422 4.3 10.5 1.0
CE C:LYS385 4.4 11.4 1.0
O4 C:ART904 4.4 17.0 1.0
CE1 C:HIS423 4.5 11.4 1.0
N C:HIS423 4.7 11.9 1.0
CB C:ASN196 4.7 11.2 1.0
C14 C:MGD901 4.7 9.5 1.0
CZ C:ARG702 4.8 10.6 1.0
NE2 C:HIS195 4.8 12.0 1.0
C14 C:MGD902 4.8 10.8 1.0
C11 C:MGD901 4.8 8.9 1.0
C C:GLY422 4.9 10.3 1.0
C11 C:MGD902 4.9 10.7 1.0
OE1 C:GLN708 4.9 12.0 1.0
CG C:ASN196 4.9 15.2 1.0
NE2 C:GLN708 4.9 12.1 1.0

Molybdenum binding site 3 out of 4 in 8ch9

Go back to Molybdenum Binding Sites List in 8ch9
Molybdenum binding site 3 out of 4 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic 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 Arsenic Oxyanion within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mo906

b:8.6
occ:0.90
 O1 E:ART904 1.7 13.7 1.0
O E:HOH1001 1.9 12.1 1.0
S13 E:MGD901 2.3 9.5 1.0
S13 E:MGD902 2.3 12.4 1.0
S12 E:MGD902 2.4 11.4 1.0
S12 E:MGD901 2.4 10.2 1.0
AS E:ART904 3.1 7.9 0.6
C13 E:MGD901 3.4 8.8 1.0
C13 E:MGD902 3.4 9.7 1.0
C12 E:MGD901 3.4 8.7 1.0
C12 E:MGD902 3.4 11.1 1.0
NH2 E:ARG702 3.8 9.3 1.0
O3 E:ART904 3.9 12.0 1.0
ND2 E:ASN196 4.1 12.0 1.0
NZ E:LYS385 4.1 11.8 1.0
ND1 E:HIS423 4.1 10.5 1.0
O2 E:ART904 4.3 18.3 1.0
CA E:GLY422 4.3 11.1 1.0
O4 E:ART904 4.4 16.4 1.0
CE E:LYS385 4.4 9.7 1.0
CE1 E:HIS423 4.5 10.8 1.0
N E:HIS423 4.7 10.6 1.0
CB E:ASN196 4.7 12.4 1.0
CZ E:ARG702 4.7 12.4 1.0
C14 E:MGD902 4.8 10.3 1.0
NE2 E:HIS195 4.8 13.6 1.0
C14 E:MGD901 4.8 9.1 1.0
C11 E:MGD901 4.8 9.0 1.0
C11 E:MGD902 4.9 11.7 1.0
OE1 E:GLN708 4.9 10.6 1.0
CG E:ASN196 4.9 12.3 1.0
NE2 E:GLN708 4.9 10.1 1.0
C E:GLY422 4.9 11.4 1.0

Molybdenum binding site 4 out of 4 in 8ch9

Go back to Molybdenum Binding Sites List in 8ch9
Molybdenum binding site 4 out of 4 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic 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 Arsenic Oxyanion within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mo2406

b:11.0
occ:1.00
 O G:HOH2503 2.0 10.0 1.0
O1 G:ART2407 2.1 12.9 1.0
S13 G:MGD2402 2.3 10.3 1.0
S13 G:MGD2403 2.3 11.8 1.0
S12 G:MGD2403 2.4 10.2 1.0
S12 G:MGD2402 2.4 11.2 1.0
AS G:ART2407 3.1 8.5 0.6
C12 G:MGD2403 3.4 10.4 1.0
C13 G:MGD2402 3.4 8.8 1.0
C13 G:MGD2403 3.4 10.6 1.0
C12 G:MGD2402 3.4 8.8 1.0
NH2 G:ARG702 3.8 8.4 1.0
O2 G:ART2407 4.0 15.8 1.0
ND2 G:ASN196 4.0 13.8 1.0
NZ G:LYS385 4.0 13.2 1.0
ND1 G:HIS423 4.1 9.5 1.0
O4 G:ART2407 4.2 18.8 1.0
CA G:GLY422 4.3 10.7 1.0
CE G:LYS385 4.4 11.0 1.0
O3 G:ART2407 4.5 16.2 1.0
CE1 G:HIS423 4.6 9.0 1.0
N G:HIS423 4.7 10.6 1.0
CB G:ASN196 4.7 13.5 1.0
CZ G:ARG702 4.7 9.1 1.0
NE2 G:HIS195 4.8 12.6 1.0
C14 G:MGD2402 4.8 9.4 1.0
C14 G:MGD2403 4.8 10.9 1.0
C11 G:MGD2403 4.8 11.1 1.0
C11 G:MGD2402 4.9 8.4 1.0
CG G:ASN196 4.9 13.2 1.0
C G:GLY422 4.9 10.2 1.0
NE2 G:GLN708 4.9 9.5 1.0
OE1 G:GLN708 4.9 11.9 1.0

Reference:

F.Engrola, M.A.S.Correia, M.J.Romao, T.Santos-Silva. Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion To Be Published.
Page generated: Sun Oct 6 17:40:02 2024

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