Cadmium in PDB 5ai3: X-Ray Structure of 113CD-Substituted Perdeuterated Pyrococcus Furiosus Rubredoxin to 1.02A Resolution at 295K in A Quartz Capillary

The structure of X-Ray Structure of 113CD-Substituted Perdeuterated Pyrococcus Furiosus Rubredoxin to 1.02A Resolution at 295K in A Quartz Capillary, PDB code: 5ai3 was solved by M.G.Cuypers, E.P.Mitchell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.406 / 1.02
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.443, 35.141, 43.785, 90.00, 90.00, 90.00
R / Rfree (%)	10.65 / 12.64

The binding sites of Cadmium atom in the X-Ray Structure of 113CD-Substituted Perdeuterated Pyrococcus Furiosus Rubredoxin to 1.02A Resolution at 295K in A Quartz Capillary (pdb code 5ai3). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total only one binding site of Cadmium was determined in the X-Ray Structure of 113CD-Substituted Perdeuterated Pyrococcus Furiosus Rubredoxin to 1.02A Resolution at 295K in A Quartz Capillary, PDB code: 5ai3:

Cadmium binding site 1 out of 1 in the X-Ray Structure of 113CD-Substituted Perdeuterated Pyrococcus Furiosus Rubredoxin to 1.02A Resolution at 295K in A Quartz Capillary


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of X-Ray Structure of 113CD-Substituted Perdeuterated Pyrococcus Furiosus Rubredoxin to 1.02A Resolution at 295K in A Quartz Capillary within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1054 b:10.8 occ:1.00 SG A:CYS41 2.5 11.5 1.0 SG A:CYS8 2.5 12.1 1.0 SG A:CYS5 2.5 10.4 1.0 SG A:CYS38 2.5 10.4 1.0 D A:CYS41 3.2 14.4 1.0 DB3 A:CYS8 3.3 15.9 1.0 DB3 A:CYS38 3.3 11.6 1.0 D A:CYS8 3.3 14.4 1.0 DB3 A:CYS41 3.3 14.5 1.0 DB3 A:CYS5 3.3 12.0 1.0 CB A:CYS38 3.3 9.7 1.0 DB2 A:CYS38 3.3 11.6 1.0 CB A:CYS5 3.3 10.0 1.0 DB2 A:CYS5 3.4 12.0 1.0 CB A:CYS8 3.5 13.3 1.0 CB A:CYS41 3.5 12.1 1.0 DB A:ILE7 3.5 17.9 1.0 DB A:ILE40 3.6 16.4 1.0 DB3 A:TYR10 3.6 12.7 1.0 DB1 A:ALA43 3.8 15.1 1.0 N A:CYS41 3.9 12.0 1.0 N A:CYS8 3.9 12.0 1.0 D A:ALA43 4.0 12.6 1.0 DB3 A:ALA43 4.1 15.1 1.0 D A:TYR10 4.1 12.2 1.0 CA A:CYS41 4.2 12.0 1.0 CA A:CYS8 4.2 12.3 1.0 DB2 A:TYR10 4.3 12.7 1.0 DB2 A:CYS8 4.3 15.9 1.0 DB2 A:CYS41 4.3 14.5 1.0 CB A:ALA43 4.4 12.6 1.0 CB A:TYR10 4.4 10.6 1.0 CB A:ILE7 4.5 14.9 1.0 D A:ILE40 4.5 13.7 1.0 D A:ILE7 4.6 14.5 1.0 DZ A:PHE48 4.6 14.1 1.0 CB A:ILE40 4.6 13.7 1.0 D A:GLY42 4.6 13.3 1.0 D A:GLY9 4.6 13.0 1.0 CA A:CYS38 4.8 9.8 1.0 CA A:CYS5 4.8 9.3 1.0 N A:ALA43 4.8 10.4 1.0 C A:ILE7 4.9 12.6 1.0 N A:TYR10 4.9 10.2 1.0 C A:CYS41 4.9 11.1 1.0 C A:ILE40 4.9 12.6 1.0 C A:CYS8 4.9 11.5 1.0 DG23 A:ILE7 4.9 21.6 1.0 DG23 A:ILE40 4.9 20.2 1.0 N A:GLY42 4.9 11.1 1.0 N A:GLY9 5.0 10.8 1.0

M.G.Cuypers, S.A.Mason, E.Mossou, M.Haertlein, V.T.Forsyth, E.P.Mitchell. Macromolecular Structure Phasing By Neutron Anomalous Diffraction. Sci.Rep. V. 6 31487 2016.
ISSN: ISSN 2045-2322
PubMed: 27511806
DOI: 10.1038/SREP31487