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Arsenic 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
Molybdenum (Mo) 4 atoms

Arsenic Binding Sites:

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

Arsenic binding site 1 out of 4 in 8cff

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Arsenic 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 Arsenic with other atoms in the As 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:As907

b:15.0
occ:0.20
 AS A:AST907 0.0 15.0 0.2
O2 A:AST907 1.7 13.4 1.0
O3 A:AST907 1.7 15.7 1.0
O1 A:AST907 1.9 14.2 1.0
O A:HOH1400 3.2 19.7 1.0
MO A:MO903 3.3 9.9 1.0
ND2 A:ASN196 3.4 9.0 1.0
OE2 A:GLU203 3.5 11.1 1.0
O A:HOH1099 3.6 16.2 1.0
NH2 A:ARG419 3.8 10.5 1.0
NZ A:LYS385 4.0 9.9 1.0
NE2 A:HIS195 4.0 9.9 1.0
O A:HOH1046 4.0 13.5 1.0
N A:HIS423 4.1 9.5 1.0
ND1 A:HIS423 4.2 9.7 1.0
CA A:GLY422 4.3 9.3 1.0
S12 A:MGD901 4.5 9.2 1.0
NH1 A:ARG419 4.5 10.8 1.0
CD A:GLU203 4.5 10.6 1.0
CG A:ASN196 4.5 9.5 1.0
N A:GLY422 4.5 10.0 1.0
S13 A:MGD902 4.6 8.1 1.0
CE1 A:HIS195 4.6 9.8 1.0
CZ A:ARG419 4.6 10.6 1.0
S12 A:MGD902 4.7 9.7 1.0
OE1 A:GLU203 4.8 10.1 1.0
C A:GLY422 4.8 9.3 1.0
CB A:HIS423 4.9 9.7 1.0
CE A:LYS385 4.9 10.0 1.0
CG A:HIS423 5.0 9.9 1.0

Arsenic binding site 2 out of 4 in 8cff

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Arsenic 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 Arsenic with other atoms in the As 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:As905

b:13.2
occ:0.20
 AS C:AST905 0.0 13.2 0.2
O1 C:AST905 1.7 13.9 1.0
O2 C:AST905 1.8 11.5 1.0
O3 C:AST905 1.9 12.9 1.0
O C:HOH1444 3.3 20.1 1.0
MO C:MO901 3.3 10.3 1.0
OE2 C:GLU203 3.4 11.9 1.0
ND2 C:ASN196 3.4 10.9 1.0
NH2 C:ARG419 3.8 10.7 1.0
O C:HOH1070 3.8 17.7 1.0
NZ C:LYS385 3.8 9.4 1.0
NE2 C:HIS195 4.0 9.5 1.0
O C:HOH1015 4.0 16.7 1.0
N C:HIS423 4.2 9.8 1.0
ND1 C:HIS423 4.3 9.4 1.0
NH1 C:ARG419 4.4 11.3 1.0
CD C:GLU203 4.4 11.9 1.0
CA C:GLY422 4.5 10.2 1.0
S12 C:MGD903 4.5 9.3 1.0
CZ C:ARG419 4.5 10.4 1.0
CG C:ASN196 4.6 10.9 1.0
N C:GLY422 4.6 10.4 1.0
CE1 C:HIS195 4.6 10.1 1.0
S13 C:MGD902 4.7 9.9 1.0
S12 C:MGD902 4.7 10.2 1.0
OE1 C:GLU203 4.7 12.3 1.0
CE C:LYS385 4.9 9.1 1.0
C C:GLY422 4.9 9.9 1.0
CB C:HIS423 4.9 9.5 1.0
OE2 C:GLU425 4.9 16.3 1.0
S13 C:MGD903 5.0 9.6 1.0

Arsenic binding site 3 out of 4 in 8cff

Go back to Arsenic Binding Sites List in 8cff
Arsenic 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 Arsenic with other atoms in the As 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:As906

b:14.0
occ:0.20
 AS E:AST906 0.0 14.0 0.2
O1 E:AST906 1.7 14.8 1.0
O3 E:AST906 1.8 12.9 1.0
O2 E:AST906 1.9 13.3 1.0
O E:HOH1317 3.1 24.7 1.0
MO E:MO902 3.3 10.2 1.0
ND2 E:ASN196 3.4 10.4 1.0
OE2 E:GLU203 3.4 12.1 1.0
NH2 E:ARG419 3.8 11.3 1.0
O E:HOH1038 3.9 17.1 1.0
NE2 E:HIS195 4.0 11.0 1.0
NZ E:LYS385 4.1 9.9 1.0
O E:HOH1014 4.1 14.2 1.0
N E:HIS423 4.2 10.0 1.0
ND1 E:HIS423 4.2 9.4 1.0
CD E:GLU203 4.4 11.3 1.0
CA E:GLY422 4.4 10.0 1.0
S12 E:MGD901 4.5 9.6 1.0
CG E:ASN196 4.5 10.7 1.0
NH1 E:ARG419 4.5 11.9 1.0
CE1 E:HIS195 4.5 11.6 1.0
CZ E:ARG419 4.6 11.2 1.0
S13 E:MGD903 4.7 10.9 1.0
N E:GLY422 4.7 10.1 1.0
OE1 E:GLU203 4.7 11.4 1.0
S12 E:MGD903 4.7 10.5 1.0
C E:GLY422 4.9 9.7 1.0
CE E:LYS385 4.9 9.9 1.0
CB E:HIS423 4.9 9.9 1.0
OE2 E:GLU425 4.9 17.9 1.0

Arsenic binding site 4 out of 4 in 8cff

Go back to Arsenic Binding Sites List in 8cff
Arsenic 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 Arsenic with other atoms in the As 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:As906

b:12.7
occ:0.20
 AS G:AST906 0.0 12.7 0.2
O3 G:AST906 1.7 13.1 1.0
O1 G:AST906 1.7 12.3 1.0
O2 G:AST906 1.9 12.4 1.0
MO G:MO901 3.3 9.9 1.0
O G:HOH1477 3.3 19.2 1.0
ND2 G:ASN196 3.4 9.3 1.0
OE2 G:GLU203 3.6 11.0 1.0
O G:HOH1078 3.7 18.8 1.0
NH2 G:ARG419 3.9 10.4 1.0
NE2 G:HIS195 3.9 10.2 1.0
O G:HOH1032 4.0 12.9 1.0
NZ G:LYS385 4.0 9.3 1.0
ND1 G:HIS423 4.1 9.4 1.0
N G:HIS423 4.1 9.5 1.0
CA G:GLY422 4.4 9.6 1.0
S12 G:MGD902 4.4 9.2 1.0
CG G:ASN196 4.5 10.0 1.0
NH1 G:ARG419 4.5 11.2 1.0
CE1 G:HIS195 4.5 10.6 1.0
CD G:GLU203 4.6 10.8 1.0
S13 G:MGD903 4.6 9.3 1.0
N G:GLY422 4.6 9.7 1.0
CZ G:ARG419 4.7 10.4 1.0
S12 G:MGD903 4.7 9.4 1.0
C G:GLY422 4.8 9.2 1.0
CB G:HIS423 4.9 8.9 1.0
OE1 G:GLU203 4.9 10.3 1.0
OE2 G:GLU425 4.9 16.3 1.0
CG G:HIS423 5.0 9.1 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: Wed Jul 10 13:56:51 2024

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