Arsenic in PDB 1jzw: Arsenate Reductase + Sodium Arsenate From E. Coli

The structure of Arsenate Reductase + Sodium Arsenate From E. Coli, PDB code: 1jzw was solved by P.Martin, S.Demel, J.Shi, T.Gladysheva, D.L.Gatti, B.P.Rosen, B.F.Edwards, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.76
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	86.790, 86.790, 116.320, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / 19.4

The structure of Arsenate Reductase + Sodium Arsenate From E. Coli also contains other interesting chemical elements:

Caesium

(Cs)

5 atoms

The binding sites of Arsenic atom in the Arsenate Reductase + Sodium Arsenate From E. Coli (pdb code 1jzw). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the Arsenate Reductase + Sodium Arsenate From E. Coli, PDB code: 1jzw:

Arsenic binding site 1 out of 1 in the Arsenate Reductase + Sodium Arsenate From E. Coli


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Arsenate Reductase + Sodium Arsenate From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:As12 b:49.5 occ:0.23 AS A:CSR12 0.0 49.5 0.2 O2 A:CSR12 1.7 2.5 0.2 O1 A:CSR12 1.7 0.9 0.2 O3 A:CSR12 1.7 28.8 0.2 O3 A:SO4301 2.1 23.4 0.5 SG A:CSR12 2.2 61.3 0.2 SG A:CSR12 2.2 22.1 0.8 O1 A:SO4301 2.6 11.8 0.5 S A:SO4301 2.8 22.9 0.5 O2 A:SO3401 3.2 43.3 0.4 NH2 A:ARG94 3.2 20.4 0.6 CB A:CSR12 3.5 21.3 0.8 CB A:CSR12 3.5 20.1 0.2 CZ A:ARG94 3.7 17.3 0.6 OG1 A:THR14 3.7 18.0 1.0 O2 A:SO4301 3.8 20.6 0.5 CA A:CSR12 3.9 16.3 1.0 O A:HOH632 3.9 57.9 1.0 O4 A:SO4301 3.9 27.0 0.5 NH1 A:ARG94 3.9 18.6 0.6 N A:GLY13 4.0 16.4 1.0 NH1 A:ARG94 4.0 18.5 0.4 N A:THR14 4.0 15.0 1.0 NH1 A:ARG107 4.1 14.1 1.0 NH2 A:ARG60 4.1 47.0 0.3 CB A:THR14 4.2 23.2 1.0 C A:CSR12 4.2 15.9 1.0 NE A:ARG94 4.3 18.0 0.4 NH1 A:ARG60 4.3 21.0 0.3 NH2 A:ARG107 4.5 21.7 1.0 NE A:ARG94 4.5 14.9 0.6 CZ A:ARG60 4.6 38.0 0.3 S A:SO3401 4.6 56.0 0.4 CZ A:ARG94 4.6 16.1 0.4 CA A:THR14 4.7 19.7 1.0 CZ A:ARG107 4.8 20.8 1.0 CA A:GLY13 5.0 14.0 1.0

P.Martin, S.Demel, J.Shi, T.Gladysheva, D.L.Gatti, B.P.Rosen, B.F.Edwards. Insights Into the Structure, Solvation, and Mechanism of Arsc Arsenate Reductase, A Novel Arsenic Detoxification Enzyme. Structure V. 9 1071 2001.
ISSN: ISSN 0969-2126
PubMed: 11709171
DOI: 10.1016/S0969-2126(01)00672-4