Cadmium in PDB 5tk2: Crystal Structure of Uncharacterized Cupredoxin-Like Domain Protein From Bacillus Anthracis

The structure of Crystal Structure of Uncharacterized Cupredoxin-Like Domain Protein From Bacillus Anthracis, PDB code: 5tk2 was solved by Y.Kim, N.Maltseva, S.Shatsman, W.F.Anderson, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.25 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	65.226, 58.023, 108.796, 90.00, 90.00, 90.00
R / Rfree (%)	13.5 / 16.6

The binding sites of Cadmium atom in the Crystal Structure of Uncharacterized Cupredoxin-Like Domain Protein From Bacillus Anthracis (pdb code 5tk2). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 4 binding sites of Cadmium where determined in the Crystal Structure of Uncharacterized Cupredoxin-Like Domain Protein From Bacillus Anthracis, PDB code: 5tk2:
Jump to Cadmium binding site number: 1; 2; 3; 4;

Cadmium binding site 1 out of 4 in the Crystal Structure of Uncharacterized Cupredoxin-Like Domain Protein From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of Uncharacterized Cupredoxin-Like Domain Protein From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd201 b:13.1 occ:0.90 O A:HOH340 2.4 15.3 1.0 NE2 A:HIS116 2.4 15.0 1.0 ND1 A:HIS78 2.4 14.2 1.0 SG A:CYS113 2.5 13.2 1.0 SE A:MSE121 2.9 17.1 0.9 CE1 A:HIS78 3.2 16.1 1.0 CD2 A:HIS116 3.3 14.9 1.0 CB A:CYS113 3.3 12.5 1.0 CE1 A:HIS116 3.4 14.3 1.0 CG A:HIS78 3.5 14.1 1.0 CB A:HIS78 3.8 13.8 1.0 CE A:MSE121 4.0 17.3 1.0 CA A:HIS78 4.0 12.1 1.0 O A:GLU77 4.1 16.6 0.6 O A:GLU77 4.1 16.6 0.4 CG A:MSE121 4.3 18.2 1.0 NE2 A:HIS78 4.4 15.2 1.0 O A:HOH392 4.4 23.3 1.0 ND1 A:HIS116 4.4 13.6 1.0 CG A:HIS116 4.4 13.4 1.0 CB A:TYR115 4.4 12.2 1.0 CB A:MSE121 4.5 16.4 1.0 CD2 A:HIS78 4.5 15.8 1.0 OD2 A:ASP51 4.5 18.1 1.0 CA A:CYS113 4.7 11.3 1.0 N A:THR79 4.7 14.7 1.0 CD2 A:TYR115 4.8 11.0 1.0 CG A:ASP51 4.9 15.3 1.0 N A:TYR115 4.9 12.4 1.0 O A:TYR115 5.0 13.1 1.0 C A:GLU77 5.0 15.0 0.6 C A:GLU77 5.0 15.0 0.4

Cadmium binding site 2 out of 4 in the Crystal Structure of Uncharacterized Cupredoxin-Like Domain Protein From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of Uncharacterized Cupredoxin-Like Domain Protein From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd201 b:13.6 occ:0.90 NE2 B:HIS116 2.4 13.1 1.0 O B:HOH311 2.4 13.4 1.0 ND1 B:HIS78 2.4 12.7 1.0 SG B:CYS113 2.5 14.2 1.0 SE B:MSE121 3.1 22.5 0.8 CE1 B:HIS78 3.2 14.3 1.0 CB B:CYS113 3.2 13.2 1.0 CE1 B:HIS116 3.3 14.3 1.0 CD2 B:HIS116 3.3 13.8 1.0 CG B:HIS78 3.5 13.2 1.0 CE B:MSE121 3.9 18.0 1.0 CB B:HIS78 3.9 13.3 1.0 CA B:HIS78 4.0 12.3 1.0 O B:GLU77 4.1 15.4 0.4 O B:GLU77 4.1 15.3 0.6 O B:HOH335 4.3 17.2 1.0 NE2 B:HIS78 4.4 13.8 1.0 CG B:MSE121 4.4 18.6 1.0 ND1 B:HIS116 4.4 15.5 1.0 OD2 B:ASP51 4.4 18.0 1.0 CG B:HIS116 4.4 13.7 1.0 CB B:TYR115 4.5 14.7 1.0 CB B:MSE121 4.5 17.8 1.0 CD2 B:HIS78 4.5 13.8 1.0 CA B:CYS113 4.7 13.7 1.0 N B:THR79 4.8 12.8 1.0 N B:TYR115 5.0 13.8 1.0 CG B:ASP51 5.0 18.1 1.0 C B:GLU77 5.0 14.4 0.4 C B:HIS78 5.0 12.0 1.0 C B:GLU77 5.0 14.3 0.6

Cadmium binding site 3 out of 4 in the Crystal Structure of Uncharacterized Cupredoxin-Like Domain Protein From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Crystal Structure of Uncharacterized Cupredoxin-Like Domain Protein From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ C:Cd201 b:13.2 occ:0.90 O C:HOH342 2.3 16.1 1.0 ND1 C:HIS78 2.3 12.2 1.0 NE2 C:HIS116 2.3 12.7 1.0 SG C:CYS113 2.5 12.3 1.0 SE C:MSE121 3.0 18.6 0.8 CD2 C:HIS116 3.1 13.6 1.0 CE1 C:HIS78 3.2 12.8 1.0 CB C:CYS113 3.2 14.2 1.0 CG C:HIS78 3.4 13.2 1.0 CE1 C:HIS116 3.4 15.0 1.0 CB C:HIS78 3.7 12.7 1.0 CE C:MSE121 3.8 16.6 1.0 CA C:HIS78 4.0 14.4 1.0 O C:GLU77 4.2 13.7 1.0 CG C:MSE121 4.2 17.7 1.0 CB C:TYR115 4.3 13.1 1.0 CG C:HIS116 4.3 14.4 1.0 NE2 C:HIS78 4.3 14.7 1.0 CB C:MSE121 4.4 17.2 1.0 O C:HOH327 4.4 18.0 1.0 CD2 C:HIS78 4.5 13.8 1.0 ND1 C:HIS116 4.5 14.2 1.0 CA C:CYS113 4.7 12.4 1.0 OD2 C:ASP51 4.7 18.8 1.0 N C:THR79 4.7 14.2 1.0 CD2 C:TYR115 4.8 13.7 1.0 N C:TYR115 4.9 13.9 1.0 C C:HIS78 4.9 14.6 1.0 CG C:ASP51 5.0 16.9 1.0 N C:HIS78 5.0 15.1 1.0 C C:GLU77 5.0 13.9 1.0 CA C:TYR115 5.0 12.1 1.0

Cadmium binding site 4 out of 4 in the Crystal Structure of Uncharacterized Cupredoxin-Like Domain Protein From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Crystal Structure of Uncharacterized Cupredoxin-Like Domain Protein From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ D:Cd201 b:13.5 occ:0.90 ND1 D:HIS78 2.3 16.6 1.0 NE2 D:HIS116 2.3 13.3 1.0 SG D:CYS113 2.5 12.0 1.0 O D:HOH326 2.5 15.6 1.0 SE D:MSE121 2.8 17.0 1.0 CD2 D:HIS116 3.1 14.0 1.0 CE1 D:HIS78 3.2 15.4 1.0 CB D:CYS113 3.3 14.3 1.0 CG D:HIS78 3.4 14.3 1.0 CE1 D:HIS116 3.5 15.0 1.0 CB D:HIS78 3.8 11.9 1.0 CE D:MSE121 3.9 15.3 1.0 CA D:HIS78 4.0 11.3 1.0 CG D:MSE121 4.0 13.2 1.0 O D:GLU77 4.2 13.7 1.0 CG D:HIS116 4.3 13.4 1.0 NE2 D:HIS78 4.4 15.6 1.0 CB D:TYR115 4.5 14.3 1.0 ND1 D:HIS116 4.5 16.6 1.0 CD2 D:HIS78 4.5 15.2 1.0 OD2 D:ASP51 4.6 20.2 1.0 O D:HOH327 4.7 18.2 1.0 N D:THR79 4.7 12.1 1.0 CA D:CYS113 4.7 14.5 1.0 C D:HIS78 4.9 12.4 1.0 N D:HIS78 5.0 13.8 1.0 N D:TYR115 5.0 12.8 1.0 C D:GLU77 5.0 13.1 1.0

Y.Kim, N.Maltseva, S.Shatsman, W.F.Anderson, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Uncharacterized Cupredoxin-Like Domain Protein From Bacillus Anthracis To Be Published.