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Arsenic in PDB 2gwn: The Structure of Putative Dihydroorotase From Porphyromonas Gingivalis.

Protein crystallography data

The structure of The Structure of Putative Dihydroorotase From Porphyromonas Gingivalis., PDB code: 2gwn was solved by M.E.Cuff, M.Borovilos, S.Moy, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.10 / 1.85
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 86.459, 86.873, 114.581, 90.00, 90.00, 90.00
R / Rfree (%) 14.9 / 19.4

Other elements in 2gwn:

The structure of The Structure of Putative Dihydroorotase From Porphyromonas Gingivalis. also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 2 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the The Structure of Putative Dihydroorotase From Porphyromonas Gingivalis. (pdb code 2gwn). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the The Structure of Putative Dihydroorotase From Porphyromonas Gingivalis., PDB code: 2gwn:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 2gwn

Go back to Arsenic Binding Sites List in 2gwn
Arsenic binding site 1 out of 2 in the The Structure of Putative Dihydroorotase From Porphyromonas Gingivalis.


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of The Structure of Putative Dihydroorotase From Porphyromonas Gingivalis. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As603

b:37.9
occ:0.60
AS A:CAC603 0.0 37.9 0.6
O2 A:CAC603 1.7 34.0 0.6
O1 A:CAC603 1.7 34.2 0.6
C2 A:CAC603 2.0 34.0 0.6
C1 A:CAC603 2.0 35.4 0.6
OG A:SER154 3.5 18.8 1.0
ZN A:ZN601 3.6 23.2 0.6
CE1 A:PHE151 3.7 21.6 1.0
O A:HOH976 3.8 33.4 1.0
O A:HOH820 3.8 32.2 1.0
ND1 A:HIS181 4.0 12.3 1.0
CD1 A:PHE151 4.1 21.1 1.0
CB A:SER154 4.1 20.3 1.0
CE1 A:HIS181 4.1 13.7 1.0
O A:HOH857 4.3 43.2 1.0
O A:HOH983 4.4 57.7 1.0
OQ2 A:KCX149 4.5 13.5 0.7
ND2 A:ASN97 4.6 15.3 1.0
OQ1 A:KCX149 4.8 15.5 0.7
CZ A:PHE151 4.9 21.0 1.0
CX A:KCX149 4.9 16.9 0.7
ZN A:ZN602 4.9 25.6 0.7
CG A:HIS181 5.0 10.9 1.0

Arsenic binding site 2 out of 2 in 2gwn

Go back to Arsenic Binding Sites List in 2gwn
Arsenic binding site 2 out of 2 in the The Structure of Putative Dihydroorotase From Porphyromonas Gingivalis.


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of The Structure of Putative Dihydroorotase From Porphyromonas Gingivalis. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As604

b:0.4
occ:1.00
AS A:CAC604 0.0 0.4 1.0
O1 A:CAC604 1.7 0.4 1.0
O2 A:CAC604 1.7 0.5 1.0
C2 A:CAC604 2.0 0.5 1.0
C1 A:CAC604 2.0 0.4 1.0
O A:HOH866 3.8 40.1 1.0
O A:HOH793 4.0 31.7 1.0
NH1 A:ARG6 4.0 20.4 1.0
CA A:ALA38 4.1 23.3 1.0
CB A:ALA38 4.3 23.3 1.0
NH2 A:ARG6 4.5 18.6 1.0
N A:ALA38 4.7 22.5 1.0
CZ A:ARG6 4.8 19.8 1.0
O A:ALA38 4.8 23.9 1.0
C A:ALA38 5.0 23.8 1.0

Reference:

M.E.Cuff, M.Borovilos, S.Moy, A.Joachimiak. The Structure of Putative Dihydroorotase From Porphyromonas Gingivalis. To Be Published.
Page generated: Tue Oct 27 16:48:48 2020

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