Caesium in PDB 1s3d: Arsenate Reductase R60A Mutant From E. Coli

All present enzymatic activity of Arsenate Reductase R60A Mutant From E. Coli:
1.20.4.1;

The structure of Arsenate Reductase R60A Mutant From E. Coli, PDB code: 1s3d was solved by S.Demel, B.F.Edwards, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.54
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	86.600, 86.600, 115.650, 90.00, 90.00, 120.00
R / Rfree (%)	14.7 / 19.9

The binding sites of Caesium atom in the Arsenate Reductase R60A Mutant From E. Coli (pdb code 1s3d). 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 R60A Mutant From E. Coli, PDB code: 1s3d:
Jump to Caesium binding site number: 1; 2; 3; 4; 5;

Caesium binding site 1 out of 5 in the Arsenate Reductase R60A Mutant 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 R60A Mutant From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs401 b:16.8 occ:0.53 O A:LEU116 3.0 16.2 1.0 O A:LEU113 3.2 17.3 1.0 O A:ASP114 3.3 18.8 1.0 O A:HOH1039 3.3 19.0 1.0 C A:ASP114 3.7 17.2 1.0 C A:LEU116 4.1 16.3 1.0 O A:HOH1004 4.2 15.5 1.0 CA A:ASP114 4.3 15.4 1.0 CD1 A:LEU101 4.3 21.4 1.0 C A:LEU113 4.4 13.8 1.0 N A:LEU116 4.5 17.1 1.0 N A:ILE115 4.5 16.1 1.0 C A:ILE115 4.7 16.3 1.0 CA A:ILE115 4.8 16.1 1.0 CA A:LEU116 4.9 14.8 1.0 N A:ASP114 4.9 14.6 1.0 N A:GLN117 5.0 17.1 1.0

Caesium binding site 2 out of 5 in the Arsenate Reductase R60A Mutant 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 R60A Mutant From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs402 b:28.1 occ:0.21 O A:HOH1020 3.1 21.1 1.0 O A:PRO38 3.1 18.0 1.0 OE1 A:GLU43 3.3 15.7 0.6 O A:HOH1127 3.3 31.8 1.0 N A:SER40 3.7 17.9 1.0 C A:PRO39 4.1 18.8 1.0 CA A:PRO39 4.2 20.2 1.0 C A:PRO38 4.2 16.8 1.0 O A:HOH1041 4.3 20.9 1.0 CD A:GLU43 4.3 20.1 0.6 OE2 A:GLU43 4.5 30.7 0.6 O A:HOH1132 4.6 31.8 1.0 CA A:SER40 4.6 18.2 1.0 N A:PRO39 4.7 19.1 1.0 CB A:SER40 4.7 19.6 1.0 O A:PRO39 5.0 19.0 1.0 O A:ASN37 5.0 18.9 1.0

Caesium binding site 3 out of 5 in the Arsenate Reductase R60A Mutant 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 R60A Mutant From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs403 b:26.1 occ:0.21 O A:HOH1135 3.2 27.2 1.0 OE2 A:GLU64 3.2 21.1 1.0 O A:HOH1071 3.5 25.3 1.0 O A:HOH1277 3.9 47.2 1.0 CD A:GLU64 3.9 18.8 1.0 O A:HOH1173 4.0 38.8 1.0 OE1 A:GLU64 4.1 18.8 1.0 O A:HOH1148 4.1 35.3 1.0 O A:HOH1171 4.2 39.5 1.0 O A:HOH1289 4.8 40.3 1.0 O4 A:SO4204 4.9 29.6 0.5

Caesium binding site 4 out of 5 in the Arsenate Reductase R60A Mutant 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 R60A Mutant From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs404 b:39.2 occ:0.21 O A:HOH1119 2.7 27.5 1.0 O A:HOH1301 2.7 56.3 1.0 O A:HOH1183 3.0 47.8 1.0 O A:GLU135 3.1 30.8 1.0 O A:HOH1093 3.2 25.7 1.0 O A:HOH1151 3.4 35.9 1.0 O A:GLN120 3.4 18.0 1.0 C A:LYS121 4.0 18.2 1.0 O A:LYS121 4.0 22.6 1.0 N A:GLY122 4.0 18.8 1.0 CA A:GLY122 4.1 17.6 1.0 C A:GLU135 4.2 25.9 1.0 C A:ALA136 4.3 28.9 1.0 N A:GLY137 4.3 23.3 1.0 O A:ALA136 4.4 35.4 1.0 CA A:GLY137 4.4 22.5 1.0 C A:GLN120 4.5 16.3 1.0 CA A:LYS121 4.6 15.7 1.0 C A:GLY122 4.8 15.7 1.0 CA A:ALA136 4.8 31.6 1.0 O A:HOH1314 4.9 48.4 1.0 N A:ALA136 5.0 26.8 1.0

Caesium binding site 5 out of 5 in the Arsenate Reductase R60A Mutant 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 R60A Mutant From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs405 b:24.6 occ:0.17 O A:HOH1077 2.9 21.9 1.0 O A:HOH1209 3.1 54.3 1.0 O A:HOH1195 3.4 32.1 1.0 O A:HOH1033 3.4 18.8 1.0 OD2 A:ASP128 3.5 20.8 1.0 O A:HOH1018 4.3 17.1 1.0 OE2 A:GLU130 4.3 15.7 0.4 O A:HOH1015 4.3 21.6 1.0 CG A:ASP128 4.3 17.2 1.0 O4 A:SO4203 4.7 19.1 1.0 CB A:ASP128 4.7 17.7 1.0 O A:HOH1188 4.8 33.1 1.0 O1 A:SO4203 4.8 33.9 1.0 O A:HOH1272 4.9 40.0 1.0

S.Demel, J.Shi, P.Martin, B.P.Rosen, B.F.Edwards. Arginine 60 in the Arsc Arsenate Reductase of E. Coli Plasmid R773 Determines the Chemical Nature of the Bound As(III) Product. Protein Sci. V. 13 2330 2004.
ISSN: ISSN 0961-8368
PubMed: 15295115
DOI: 10.1110/PS.04787204