Caesium in PDB 1j9b: Arsenate Reductase+0.4M Arsenite From E. Coli

The structure of Arsenate Reductase+0.4M Arsenite From E. Coli, PDB code: 1j9b was solved by P.Martin, B.F.Edwards, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.26
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	86.613, 86.613, 116.672, 90.00, 90.00, 120.00
R / Rfree (%)	14.7 / 18.8

The structure of Arsenate Reductase+0.4M Arsenite From E. Coli also contains other interesting chemical elements:

Arsenic

(As)

3 atoms

The binding sites of Caesium atom in the Arsenate Reductase+0.4M Arsenite From E. Coli (pdb code 1j9b). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 3 binding sites of Caesium where determined in the Arsenate Reductase+0.4M Arsenite From E. Coli, PDB code: 1j9b:
Jump to Caesium binding site number: 1; 2; 3;

Caesium binding site 1 out of 3 in the Arsenate Reductase+0.4M Arsenite From E. Coli


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Arsenate Reductase+0.4M Arsenite From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs302 b:9.4 occ:0.43 O A:LEU116 3.1 12.0 1.0 O A:LEU113 3.1 12.2 1.0 O A:ASP114 3.3 12.2 1.0 O A:HOH1012 3.3 12.0 1.0 C A:ASP114 3.8 11.7 1.0 O A:HOH1006 4.2 10.9 1.0 C A:LEU116 4.3 11.2 1.0 CA A:ASP114 4.3 11.5 1.0 C A:LEU113 4.3 11.0 1.0 CD1 A:LEU101 4.5 15.5 1.0 N A:LEU116 4.6 10.7 1.0 N A:ILE115 4.6 10.4 1.0 N A:ASP114 4.8 11.2 1.0 C A:ILE115 5.0 10.1 1.0

Caesium binding site 2 out of 3 in the Arsenate Reductase+0.4M Arsenite From E. Coli


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Arsenate Reductase+0.4M Arsenite From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs303 b:23.4 occ:0.23 O A:HOH1046 3.2 19.2 1.0 O A:HOH1043 3.3 16.2 1.0 O A:HOH1249 3.5 51.7 1.0 O A:HOH1117 3.5 32.8 1.0 OD2 A:ASP128 3.6 19.5 1.0 O A:HOH1032 3.8 15.4 1.0 O A:HOH1254 3.9 43.5 0.5 CG A:ASP128 4.3 15.6 1.0 O A:HOH1001 4.4 12.4 1.0 OE2 A:GLU130 4.6 17.2 0.4 CB A:ASP128 4.7 12.7 1.0 O1 A:SO4204 4.9 15.1 0.7 O4 A:SO4204 4.9 8.4 0.7

Caesium binding site 3 out of 3 in the Arsenate Reductase+0.4M Arsenite From E. Coli


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Arsenate Reductase+0.4M Arsenite From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs304 b:27.6 occ:0.19 O A:HOH1215 3.0 54.0 1.0 OE1 A:GLU43 3.1 15.7 0.6 O A:PRO38 3.1 17.6 1.0 O A:HOH1027 3.2 21.5 1.0 O A:HOH1110 3.4 35.8 1.0 N A:SER40 3.8 16.5 1.0 CA A:PRO39 4.1 17.4 1.0 CD A:GLU43 4.1 21.3 0.6 C A:PRO39 4.1 17.6 1.0 C A:PRO38 4.1 16.9 1.0 OE2 A:GLU43 4.1 26.5 0.6 O A:HOH1031 4.2 20.5 1.0 O A:HOH1190 4.5 31.1 1.0 N A:PRO39 4.6 17.4 1.0 CB A:SER40 4.7 20.5 1.0 CA A:SER40 4.7 16.1 1.0 O A:ASN37 4.9 17.8 1.0 O A:PRO39 5.0 18.0 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