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Arsenic in PDB 2i0k: Cholesterol Oxidase From Brevibacterium Sterolicum- HIS121ALA Mutant

Enzymatic activity of Cholesterol Oxidase From Brevibacterium Sterolicum- HIS121ALA Mutant

All present enzymatic activity of Cholesterol Oxidase From Brevibacterium Sterolicum- HIS121ALA Mutant:
1.1.3.6;

Protein crystallography data

The structure of Cholesterol Oxidase From Brevibacterium Sterolicum- HIS121ALA Mutant, PDB code: 2i0k was solved by A.Vrielink, L.Lim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 72.55 / 1.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 140.635, 85.851, 78.755, 90.00, 112.48, 90.00
R / Rfree (%) 14.8 / 16.7

Other elements in 2i0k:

The structure of Cholesterol Oxidase From Brevibacterium Sterolicum- HIS121ALA Mutant also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Cholesterol Oxidase From Brevibacterium Sterolicum- HIS121ALA Mutant (pdb code 2i0k). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Cholesterol Oxidase From Brevibacterium Sterolicum- HIS121ALA Mutant, PDB code: 2i0k:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 2i0k

Go back to Arsenic Binding Sites List in 2i0k
Arsenic binding site 1 out of 2 in the Cholesterol Oxidase From Brevibacterium Sterolicum- HIS121ALA Mutant


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Cholesterol Oxidase From Brevibacterium Sterolicum- HIS121ALA Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As703

b:15.6
occ:1.00
AS A:CAC703 0.0 15.6 1.0
O1 A:CAC703 1.7 12.6 1.0
O2 A:CAC703 1.7 14.2 1.0
C1 A:CAC703 1.9 14.3 1.0
C2 A:CAC703 2.0 14.1 1.0
MN A:MN701 3.5 11.3 1.0
O A:HOH1068 3.6 14.2 1.0
OD1 A:ASN542 3.8 8.6 1.0
O A:HOH1060 3.8 13.4 1.0
O A:HOH1135 3.9 17.7 1.0
O A:HOH1082 4.1 14.0 1.0
O A:HOH1074 4.3 11.6 1.0
O A:ASN542 4.4 8.8 1.0
CG A:ASN542 4.6 7.9 1.0
C A:ASN542 4.6 7.8 1.0
CA A:ASN543 4.7 8.2 1.0
N A:ASN543 4.7 7.8 1.0
OE2 A:GLU579 4.7 12.6 1.0
ND2 A:ASN542 5.0 9.9 1.0

Arsenic binding site 2 out of 2 in 2i0k

Go back to Arsenic Binding Sites List in 2i0k
Arsenic binding site 2 out of 2 in the Cholesterol Oxidase From Brevibacterium Sterolicum- HIS121ALA Mutant


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Cholesterol Oxidase From Brevibacterium Sterolicum- HIS121ALA Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As705

b:27.4
occ:1.00
AS A:CAC705 0.0 27.4 1.0
O2 A:CAC705 1.7 25.4 1.0
O1 A:CAC705 1.8 25.8 1.0
C2 A:CAC705 2.0 27.2 1.0
C1 A:CAC705 2.0 25.4 1.0
NH2 A:ARG477 3.6 7.4 0.7
NZ A:LYS554 3.7 9.5 1.0
OE1 A:GLU432 3.7 13.7 1.0
NH2 A:ARG477 3.8 10.9 0.3
O A:HOH2319 3.9 34.5 1.0
OE1 A:GLU475 4.0 20.4 1.0
N5 A:FAD700 4.0 7.8 1.0
OE2 A:GLU432 4.1 10.9 1.0
O3 A:GOL706 4.3 42.7 1.0
CD A:GLU432 4.3 11.3 1.0
CZ A:ARG477 4.4 8.6 0.7
CZ A:ARG477 4.4 10.3 0.3
CE A:LYS554 4.5 9.5 1.0
C5X A:FAD700 4.5 7.5 1.0
C4X A:FAD700 4.5 6.1 1.0
C6 A:FAD700 4.6 8.3 1.0
O4 A:FAD700 4.7 7.7 1.0
C4 A:FAD700 4.7 7.8 1.0
O A:HOH1083 4.7 12.6 1.0
NH1 A:ARG477 4.8 8.1 0.3
CD1 A:ILE423 4.9 11.1 0.7
NE A:ARG477 5.0 7.4 0.7

Reference:

L.Lim, G.Molla, N.Guinn, S.Ghisla, L.Pollegioni, A.Vrielink. Structural and Kinetic Analyses of the H121A Mutant of Cholesterol Oxidase. Biochem.J. V. 400 13 2006.
ISSN: ISSN 0264-6021
PubMed: 16856877
DOI: 10.1042/BJ20060664
Page generated: Tue Oct 27 16:48:56 2020

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