Copper in PDB 4bxv: Three-Dimensional Structure of the Mutant K109A of Paracoccus Pantotrophus Pseudoazurin at pH 7.0

The structure of Three-Dimensional Structure of the Mutant K109A of Paracoccus Pantotrophus Pseudoazurin at pH 7.0, PDB code: 4bxv was solved by F.Freire, A.Mestre, J.Pinho, S.Najmudin, C.Bonifacio, S.R.Pauleta, M.J.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.247 / 1.76
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.310, 71.720, 91.700, 90.00, 90.00, 90.00
R / Rfree (%)	27.49 / 31.69

The binding sites of Copper atom in the Three-Dimensional Structure of the Mutant K109A of Paracoccus Pantotrophus Pseudoazurin at pH 7.0 (pdb code 4bxv). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Three-Dimensional Structure of the Mutant K109A of Paracoccus Pantotrophus Pseudoazurin at pH 7.0, PDB code: 4bxv:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Three-Dimensional Structure of the Mutant K109A of Paracoccus Pantotrophus Pseudoazurin at pH 7.0


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Three-Dimensional Structure of the Mutant K109A of Paracoccus Pantotrophus Pseudoazurin at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1124 b:14.3 occ:1.00 ND1 A:HIS40 2.5 15.4 1.0 SG A:CYS78 2.6 8.7 1.0 SD A:MET86 2.8 7.9 1.0 CB A:HIS81 3.3 13.3 1.0 CG A:HIS40 3.3 9.9 1.0 CD2 A:HIS81 3.3 11.9 1.0 CB A:CYS78 3.4 12.0 1.0 CE1 A:HIS40 3.4 8.2 1.0 CB A:HIS40 3.6 6.2 1.0 CG A:HIS81 3.6 10.7 1.0 CA A:HIS40 3.8 9.5 1.0 CE A:MET86 3.9 8.7 1.0 O A:SER39 4.0 10.9 1.0 CG A:MET86 4.3 4.4 1.0 N A:HIS81 4.4 4.9 1.0 CA A:HIS81 4.4 15.3 1.0 CD2 A:HIS40 4.5 6.2 1.0 NE2 A:HIS40 4.5 7.9 1.0 N A:HIS40 4.6 12.6 1.0 NE2 A:HIS81 4.6 15.8 1.0 CB A:MET86 4.6 4.4 1.0 C A:SER39 4.6 9.1 1.0 CG A:PRO80 4.8 9.1 1.0 SD A:MET16 4.8 12.4 1.0 CA A:CYS78 4.8 9.5 1.0 N A:ASN41 4.8 8.1 1.0 C A:HIS40 4.9 3.5 1.0 ND1 A:HIS81 4.9 9.6 1.0 CB A:MET16 4.9 6.4 1.0 O A:HIS81 5.0 16.3 1.0

Copper binding site 2 out of 2 in the Three-Dimensional Structure of the Mutant K109A of Paracoccus Pantotrophus Pseudoazurin at pH 7.0


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Three-Dimensional Structure of the Mutant K109A of Paracoccus Pantotrophus Pseudoazurin at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu1124 b:16.4 occ:1.00 ND1 B:HIS40 2.4 12.6 1.0 CD2 B:HIS81 2.6 4.2 1.0 SG B:CYS78 2.6 14.9 1.0 SD B:MET86 2.9 15.3 1.0 CG B:HIS40 3.3 12.0 1.0 CB B:CYS78 3.3 11.7 1.0 CB B:HIS40 3.4 6.7 1.0 CG B:HIS81 3.4 4.7 1.0 CE1 B:HIS40 3.4 7.9 1.0 CE B:MET86 3.6 4.2 1.0 CA B:HIS40 3.6 5.9 1.0 NE2 B:HIS81 3.7 11.2 1.0 CB B:HIS81 3.7 10.2 1.0 O B:SER39 3.9 10.1 1.0 CG B:MET86 4.0 12.1 1.0 N B:HIS40 4.3 6.2 1.0 C B:SER39 4.4 10.0 1.0 CD2 B:HIS40 4.5 10.4 1.0 CB B:MET86 4.5 10.8 1.0 SD B:MET16 4.5 11.6 1.0 NE2 B:HIS40 4.5 13.0 1.0 ND1 B:HIS81 4.7 6.5 1.0 CG B:PRO80 4.7 17.1 1.0 N B:ASN41 4.7 8.3 1.0 CA B:CYS78 4.8 9.8 1.0 C B:HIS40 4.8 4.7 1.0 CE1 B:HIS81 4.8 4.3 1.0 OG B:SER39 4.9 6.0 1.0

F.Freire, A.Mestre, J.Pinho, S.Najmudin, C.Bonifacio, S.R.Pauleta, M.J.Romao. Exploring the Surface Determinants of Paracoccus Pantotrophus Pseudoazurin To Be Published.