Caesium 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:

Arsenic

(As)

1 atom

The binding sites of Caesium atom in the Arsenate Reductase + Sodium Arsenate From E. Coli (pdb code 1jzw). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 5 binding sites of Caesium where determined in the Arsenate Reductase + Sodium Arsenate From E. Coli, PDB code: 1jzw:
Jump to Caesium binding site number: 1; 2; 3; 4; 5;

Caesium binding site 1 out of 5 in the Arsenate Reductase + Sodium Arsenate 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 + Sodium Arsenate From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs501 b:18.0 occ:0.50 O A:LEU116 3.1 16.1 1.0 O A:LEU113 3.2 17.9 1.0 O A:HOH518 3.2 16.6 1.0 O A:ASP114 3.3 16.0 1.0 C A:ASP114 3.8 19.4 1.0 O A:HOH514 4.1 14.2 1.0 C A:LEU116 4.2 12.2 1.0 CA A:ASP114 4.3 18.9 1.0 C A:LEU113 4.4 17.0 1.0 CD1 A:LEU101 4.5 15.8 1.0 N A:LEU116 4.5 14.8 1.0 N A:ILE115 4.6 15.8 1.0 N A:ASP114 4.9 15.6 1.0 C A:ILE115 4.9 13.4 1.0 CA A:ILE115 5.0 16.8 1.0

Caesium binding site 2 out of 5 in the Arsenate Reductase + Sodium Arsenate 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 + Sodium Arsenate From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs502 b:32.2 occ:0.28 O A:HOH719 2.1 39.3 1.0 O A:HOH593 3.2 24.6 1.0 O A:HOH534 3.3 22.9 1.0 O A:HOH727 3.5 37.8 1.0 OD2 A:ASP128 3.8 26.0 1.0 O A:HOH508 4.3 15.7 1.0 CG A:ASP128 4.4 26.9 1.0 CB A:ASP128 4.6 15.6 1.0 O4 A:SO4301 4.6 27.0 0.5 O A:HOH689 4.6 46.1 0.5 OE2 A:GLU130 4.7 9.9 0.3

Caesium binding site 3 out of 5 in the Arsenate Reductase + Sodium Arsenate 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 + Sodium Arsenate From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs503 b:35.2 occ:0.22 O A:HOH527 3.2 20.5 1.0 O A:PRO38 3.2 21.7 1.0 OE1 A:GLU43 3.2 9.4 0.6 O A:HOH646 3.6 39.5 1.0 N A:SER40 3.9 26.9 1.0 CD A:GLU43 4.2 32.2 0.6 CA A:PRO39 4.2 15.0 1.0 C A:PRO39 4.2 26.4 1.0 O A:HOH535 4.2 22.2 1.0 OE2 A:GLU43 4.3 24.6 0.6 C A:PRO38 4.3 19.1 1.0 O A:HOH662 4.6 34.0 1.0 CA A:SER40 4.7 22.4 1.0 CB A:SER40 4.7 21.5 1.0 N A:PRO39 4.8 18.3 1.0 O A:ASN37 5.0 19.3 1.0

Caesium binding site 4 out of 5 in the Arsenate Reductase + Sodium Arsenate From E. Coli


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Arsenate Reductase + Sodium Arsenate From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs504 b:33.4 occ:0.17 O A:GLY26 3.2 21.1 1.0 O A:HOH590 3.5 24.8 1.0 CG2 A:THR27 3.8 14.4 1.0 C A:GLY26 4.1 21.8 1.0 CB A:THR27 4.2 28.3 1.0 CA A:THR27 4.5 13.2 1.0 O A:HOH703 4.5 38.5 1.0 O A:HOH617 4.6 40.9 1.0 N A:THR27 4.7 18.0 1.0 OD2 A:ASP118 4.8 28.2 1.0 CA A:GLY26 4.9 16.2 1.0

Caesium binding site 5 out of 5 in the Arsenate Reductase + Sodium Arsenate From E. Coli


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Arsenate Reductase + Sodium Arsenate From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs505 b:33.4 occ:0.18 O A:HOH697 2.2 42.5 1.0 O A:HOH614 3.1 24.1 1.0 O A:HOH562 3.2 26.5 1.0 OE2 A:GLU64 3.3 21.4 1.0 CD A:GLU64 4.1 15.2 1.0 OE1 A:GLU64 4.2 22.1 1.0 O A:HOH620 4.4 30.6 1.0 O A:HOH676 4.6 30.5 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