Copper in PDB 2xv3: Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaaam), Chemically Reduced, PH5.3

The structure of Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaaam), Chemically Reduced, PH5.3, PDB code: 2xv3 was solved by C.Li, K.Sato, S.Monari, I.Salard, M.Sola, M.J.Banfield, C.Dennison, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.48 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.430, 86.593, 41.704, 90.00, 114.43, 90.00
R / Rfree (%)	18.3 / 26.6

The binding sites of Copper atom in the Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaaam), Chemically Reduced, PH5.3 (pdb code 2xv3). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaaam), Chemically Reduced, PH5.3, PDB code: 2xv3:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaaam), Chemically Reduced, PH5.3


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaaam), Chemically Reduced, PH5.3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu501 b:21.0 occ:1.00 ND1 A:HIS46 2.0 5.2 1.0 SG A:CYS112 2.2 10.2 1.0 ND1 A:HIS117 2.2 15.7 1.0 CE1 A:HIS46 3.0 6.8 1.0 CG A:HIS46 3.1 8.9 1.0 SD A:MET122 3.1 11.9 1.0 CE1 A:HIS117 3.2 16.1 1.0 CB A:CYS112 3.2 12.5 1.0 CG A:HIS117 3.2 14.8 1.0 O A:GLY45 3.3 14.7 1.0 CA A:HIS46 3.3 12.4 1.0 CB A:HIS46 3.4 12.0 1.0 CB A:HIS117 3.5 15.2 1.0 CE A:MET122 3.6 9.6 1.0 CB A:ALA114 4.0 12.8 1.0 C A:GLY45 4.1 15.3 1.0 NE2 A:HIS46 4.1 6.2 1.0 N A:HIS46 4.1 13.6 1.0 CD2 A:HIS46 4.2 5.9 1.0 NE2 A:HIS117 4.3 16.1 1.0 CD2 A:HIS117 4.3 15.4 1.0 N A:ASN47 4.4 12.4 1.0 C A:HIS46 4.4 12.3 1.0 CG A:MET122 4.6 12.7 1.0 CA A:CYS112 4.6 12.4 1.0 CB A:MET122 4.9 13.8 1.0 N A:ALA114 4.9 12.5 1.0 CA A:HIS117 5.0 15.4 1.0

Copper binding site 2 out of 2 in the Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaaam), Chemically Reduced, PH5.3


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Pseudomonas Aeruginosa Azurin with Mutated Metal-Binding Loop Sequence (Caaaahaaaam), Chemically Reduced, PH5.3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu501 b:21.9 occ:1.00 ND1 B:HIS46 2.0 9.2 1.0 SG B:CYS112 2.1 14.4 1.0 ND1 B:HIS117 2.2 13.7 1.0 CE1 B:HIS46 2.9 10.8 1.0 CG B:HIS46 3.1 12.2 1.0 CE1 B:HIS117 3.2 14.2 1.0 CG B:HIS117 3.2 13.7 1.0 O B:GLY45 3.3 13.6 1.0 CB B:CYS112 3.3 13.0 1.0 CA B:HIS46 3.4 12.1 1.0 SD B:MET122 3.5 16.3 1.0 CB B:HIS117 3.5 14.3 1.0 CB B:HIS46 3.5 11.7 1.0 CB B:ALA114 3.9 14.2 1.0 CE B:MET122 3.9 14.8 1.0 C B:GLY45 4.0 14.7 1.0 NE2 B:HIS46 4.1 9.3 1.0 N B:HIS46 4.1 13.2 1.0 CD2 B:HIS46 4.2 11.3 1.0 NE2 B:HIS117 4.3 15.4 1.0 CD2 B:HIS117 4.3 14.6 1.0 C B:HIS46 4.5 11.8 1.0 N B:ASN47 4.5 11.2 1.0 CA B:CYS112 4.7 14.0 1.0 N B:ALA114 4.7 14.9 1.0 CG B:MET122 4.8 17.1 1.0 CA B:ALA114 4.8 15.6 1.0 CA B:HIS117 5.0 14.4 1.0

C.Li, K.Sato, S.Monari, I.Salard, M.Sola, M.J.Banfield, C.Dennison. Metal-Binding Loop Length Is A Determinant of the Pka of A Histidine Ligand at A Type 1 Copper Site Inorg.Chem. V. 50 482 2011.
ISSN: ISSN 0020-1669
PubMed: 21141901
DOI: 10.1021/IC101413E