Copper in PDB 4bwu: Three-Dimensional Structure of the K109A Mutant of Paracoccus Pantotrophus Pseudoazurin at pH 5.5

The structure of Three-Dimensional Structure of the K109A Mutant of Paracoccus Pantotrophus Pseudoazurin at pH 5.5, PDB code: 4bwu 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)	29.82 / 1.76
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.850, 66.170, 68.630, 90.00, 90.00, 90.00
R / Rfree (%)	14.897 / 20.743

The binding sites of Copper atom in the Three-Dimensional Structure of the K109A Mutant of Paracoccus Pantotrophus Pseudoazurin at pH 5.5 (pdb code 4bwu). 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 K109A Mutant of Paracoccus Pantotrophus Pseudoazurin at pH 5.5, PDB code: 4bwu:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Three-Dimensional Structure of the K109A Mutant of Paracoccus Pantotrophus Pseudoazurin at pH 5.5


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 K109A Mutant of Paracoccus Pantotrophus Pseudoazurin at pH 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1124 b:13.0 occ:1.00 ND1 A:HIS81 2.1 9.2 1.0 ND1 A:HIS40 2.1 9.7 1.0 SG A:CYS78 2.2 9.0 1.0 SD A:MET86 2.6 9.3 1.0 CE1 A:HIS81 3.0 9.6 1.0 CE1 A:HIS40 3.0 10.1 1.0 CG A:HIS81 3.0 9.1 1.0 CG A:HIS40 3.1 9.4 1.0 CB A:CYS78 3.2 8.7 1.0 CB A:HIS81 3.3 8.8 1.0 CE A:MET86 3.4 9.5 1.0 CB A:HIS40 3.5 9.3 1.0 CA A:HIS40 3.6 9.2 1.0 CG A:MET86 4.0 8.8 1.0 O A:SER39 4.1 10.3 1.0 NE2 A:HIS81 4.1 9.5 1.0 CD2 A:HIS81 4.1 9.2 1.0 NE2 A:HIS40 4.2 10.0 1.0 CD2 A:HIS40 4.2 9.5 1.0 N A:HIS40 4.4 9.6 1.0 CB A:MET86 4.4 8.8 1.0 C A:SER39 4.5 10.1 1.0 CA A:CYS78 4.5 8.6 1.0 CA A:HIS81 4.6 8.7 1.0 N A:HIS81 4.6 8.8 1.0 N A:ASN41 4.6 9.1 1.0 CG A:PRO80 4.7 9.3 1.0 SD A:MET16 4.7 15.2 0.5 C A:HIS40 4.7 9.2 1.0 OG A:SER39 5.0 10.8 1.0

Copper binding site 2 out of 2 in the Three-Dimensional Structure of the K109A Mutant of Paracoccus Pantotrophus Pseudoazurin at pH 5.5


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 K109A Mutant of Paracoccus Pantotrophus Pseudoazurin at pH 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu1124 b:14.6 occ:1.00 ND1 B:HIS81 2.1 10.0 1.0 ND1 B:HIS40 2.1 10.6 1.0 SG B:CYS78 2.2 9.8 1.0 SD B:MET86 2.6 10.8 1.0 CE1 B:HIS81 3.0 10.4 1.0 CE1 B:HIS40 3.0 11.6 1.0 CG B:HIS81 3.1 9.8 1.0 CB B:CYS78 3.1 9.2 1.0 CG B:HIS40 3.1 10.4 1.0 CE B:MET86 3.4 11.7 1.0 CB B:HIS81 3.4 9.4 1.0 CB B:HIS40 3.5 9.7 1.0 CA B:HIS40 3.6 9.9 1.0 CG B:MET86 4.1 10.0 1.0 O B:SER39 4.1 13.3 1.0 NE2 B:HIS81 4.1 10.5 1.0 NE2 B:HIS40 4.2 11.7 1.0 CD2 B:HIS81 4.2 10.2 1.0 CD2 B:HIS40 4.2 11.0 1.0 N B:HIS40 4.5 11.2 1.0 CA B:CYS78 4.5 8.9 1.0 CB B:MET86 4.5 9.6 1.0 C B:SER39 4.6 12.9 1.0 N B:ASN41 4.6 11.7 1.0 N B:HIS81 4.6 9.7 1.0 CA B:HIS81 4.6 9.5 1.0 C B:HIS40 4.7 9.1 1.0 SD B:MET16 4.8 17.6 0.5 CG B:PRO80 4.8 11.0 1.0 OG B:SER39 4.8 15.7 1.0 C B:CYS78 5.0 9.0 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.