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Arsenic 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:

Iron (Fe) 24 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 Arsenic Oxyanion (pdb code 8ch9). 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 Arsenic Oxyanion, PDB code: 8ch9:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in 8ch9

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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 Arsenic Oxyanion


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 Arsenic Oxyanion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As906

b:10.0
occ:0.80
 AS A:ART906 0.0 10.0 0.8
O A:HOH1002 1.7 11.1 1.0
O4 A:ART906 1.7 13.9 1.0
O2 A:ART906 1.7 11.2 1.0
O1 A:ART906 1.8 13.5 1.0
O3 A:ART906 1.8 11.6 0.8
MO A:4MO905 3.1 8.6 0.9
ND2 A:ASN196 3.6 10.3 1.0
OE2 A:GLU203 3.7 14.7 1.0
O1 A:GOL912 3.9 16.1 1.0
NE2 A:HIS195 4.0 8.9 1.0
NH2 A:ARG419 4.0 11.1 1.0
O A:HOH1185 4.0 11.3 1.0
ND1 A:HIS423 4.1 9.4 1.0
NZ A:LYS385 4.1 9.3 1.0
N A:HIS423 4.1 9.4 1.0
C1 A:GOL912 4.2 25.7 1.0
CA A:GLY422 4.4 8.2 1.0
S12 A:MGD902 4.4 9.4 1.0
S13 A:MGD901 4.5 9.4 1.0
S12 A:MGD901 4.5 9.6 1.0
CE1 A:HIS195 4.5 9.7 1.0
N A:GLY422 4.6 8.5 1.0
CG A:ASN196 4.6 9.5 1.0
CD A:GLU203 4.7 14.3 1.0
CB A:HIS423 4.8 9.8 1.0
S13 A:MGD902 4.8 10.1 1.0
C A:GLY422 4.8 9.2 1.0
NH1 A:ARG419 4.9 12.3 1.0
CG A:HIS423 4.9 9.3 1.0
O2 A:GOL912 4.9 32.1 1.0
CZ A:ARG419 4.9 10.9 1.0
OE1 A:GLU203 5.0 12.3 1.0

Arsenic binding site 2 out of 4 in 8ch9

Go back to Arsenic Binding Sites List in 8ch9
Arsenic 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 Arsenic with other atoms in the As 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:As904

b:10.8
occ:0.70
 AS C:ART904 0.0 10.8 0.7
O2 C:ART904 1.7 18.8 1.0
O C:HOH1002 1.7 11.7 1.0
O1 C:ART904 1.7 12.6 1.0
O3 C:ART904 1.8 16.1 1.0
O4 C:ART904 1.8 17.0 1.0
MO C:4MO909 3.1 11.3 1.0
ND2 C:ASN196 3.5 13.6 1.0
OE2 C:GLU203 3.7 16.1 1.0
O3 C:GOL906 3.8 20.8 1.0
NE2 C:HIS195 4.0 12.0 1.0
NH2 C:ARG419 4.0 14.1 1.0
ND1 C:HIS423 4.0 10.8 1.0
C3 C:GOL906 4.1 31.7 1.0
O C:HOH1189 4.1 14.4 1.0
N C:HIS423 4.1 11.9 1.0
NZ C:LYS385 4.1 13.5 1.0
S12 C:MGD902 4.3 12.7 1.0
CA C:GLY422 4.4 10.5 1.0
S13 C:MGD901 4.4 10.3 1.0
S12 C:MGD901 4.5 11.7 1.0
CE1 C:HIS195 4.5 15.5 1.0
CG C:ASN196 4.6 15.2 1.0
N C:GLY422 4.7 9.7 1.0
CD C:GLU203 4.7 19.7 1.0
CB C:HIS423 4.7 11.5 1.0
C2 C:GOL906 4.8 34.4 1.0
C C:GLY422 4.8 10.3 1.0
S13 C:MGD902 4.8 12.7 1.0
CG C:HIS423 4.8 10.8 1.0
CZ C:ARG419 4.9 12.6 1.0
NH1 C:ARG419 4.9 15.3 1.0
O2 C:GOL906 4.9 33.5 1.0
OE1 C:GLU203 5.0 13.4 1.0

Arsenic binding site 3 out of 4 in 8ch9

Go back to Arsenic Binding Sites List in 8ch9
Arsenic 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 Arsenic with other atoms in the As 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:As904

b:7.9
occ:0.60
 AS E:ART904 0.0 7.9 0.6
O2 E:ART904 1.7 18.3 1.0
O3 E:ART904 1.7 12.0 1.0
O E:HOH1001 1.7 12.1 1.0
O4 E:ART904 1.8 16.4 1.0
O1 E:ART904 1.9 13.7 1.0
MO E:4MO906 3.1 8.6 0.9
ND2 E:ASN196 3.6 12.0 1.0
OE2 E:GLU203 3.7 17.7 1.0
O1 E:GOL907 3.8 19.4 1.0
NE2 E:HIS195 4.0 13.6 1.0
O E:HOH1031 4.0 15.7 1.0
ND1 E:HIS423 4.0 10.5 1.0
NH2 E:ARG419 4.0 12.5 1.0
N E:HIS423 4.1 10.6 1.0
NZ E:LYS385 4.1 11.8 1.0
C1 E:GOL907 4.2 33.2 1.0
S12 E:MGD902 4.4 11.4 1.0
CA E:GLY422 4.4 11.1 1.0
S13 E:MGD901 4.4 9.5 1.0
S12 E:MGD901 4.5 10.2 1.0
CE1 E:HIS195 4.5 13.2 1.0
CG E:ASN196 4.6 12.3 1.0
N E:GLY422 4.6 10.8 1.0
CD E:GLU203 4.7 15.9 1.0
CB E:HIS423 4.8 10.5 1.0
S13 E:MGD902 4.8 12.4 1.0
CG E:HIS423 4.8 10.2 1.0
NH1 E:ARG419 4.8 14.6 1.0
C E:GLY422 4.8 11.4 1.0
CZ E:ARG419 4.9 10.5 1.0
O2 E:GOL907 4.9 37.2 1.0
OE1 E:GLU203 5.0 14.9 1.0

Arsenic binding site 4 out of 4 in 8ch9

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Arsenic 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 Arsenic with other atoms in the As 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:As2407

b:8.5
occ:0.60
 AS G:ART2407 0.0 8.5 0.6
O4 G:ART2407 1.7 18.8 1.0
O2 G:ART2407 1.7 15.8 1.0
O G:HOH2503 1.8 10.0 1.0
O3 G:ART2407 1.8 16.2 1.0
O1 G:ART2407 1.8 12.9 1.0
MO G:4MO2406 3.1 11.0 1.0
ND2 G:ASN196 3.6 13.8 1.0
OE2 G:GLU203 3.7 19.9 1.0
O3 G:GOL2411 3.8 20.5 1.0
NE2 G:HIS195 4.0 12.6 1.0
NH2 G:ARG419 4.0 13.8 1.0
ND1 G:HIS423 4.1 9.5 1.0
NZ G:LYS385 4.1 13.2 1.0
N G:HIS423 4.1 10.6 1.0
O G:HOH2629 4.1 13.6 1.0
C3 G:GOL2411 4.2 37.4 1.0
CA G:GLY422 4.4 10.7 1.0
S12 G:MGD2403 4.4 10.2 1.0
S12 G:MGD2402 4.4 11.2 1.0
S13 G:MGD2402 4.4 10.3 1.0
CE1 G:HIS195 4.5 13.3 1.0
N G:GLY422 4.6 10.6 1.0
CG G:ASN196 4.6 13.2 1.0
CB G:HIS423 4.7 10.8 1.0
CD G:GLU203 4.7 16.1 1.0
NH1 G:ARG419 4.8 12.7 1.0
S13 G:MGD2403 4.8 11.8 1.0
C G:GLY422 4.8 10.2 1.0
CG G:HIS423 4.8 9.7 1.0
CZ G:ARG419 4.8 12.9 1.0
O1 G:GOL2411 4.9 36.9 1.0
OE1 G:GLU203 4.9 12.7 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: Wed Jul 10 13:58:58 2024

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