Copper in PDB 4bwt: Three-Dimensional Structure of Paracoccus Pantotrophus Pseudoazurin at pH 6.5

The structure of Three-Dimensional Structure of Paracoccus Pantotrophus Pseudoazurin at pH 6.5, PDB code: 4bwt 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)	27.85 / 1.76
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	107.280, 57.870, 67.100, 90.00, 125.99, 90.00
R / Rfree (%)	16.59 / 20.631

The binding sites of Copper atom in the Three-Dimensional Structure of Paracoccus Pantotrophus Pseudoazurin at pH 6.5 (pdb code 4bwt). 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 Paracoccus Pantotrophus Pseudoazurin at pH 6.5, PDB code: 4bwt:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Three-Dimensional Structure of Paracoccus Pantotrophus Pseudoazurin at pH 6.5


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 Paracoccus Pantotrophus Pseudoazurin at pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1124 b:8.2 occ:1.00 ND1 A:HIS40 2.1 7.3 1.0 ND1 A:HIS81 2.1 9.6 1.0 SG A:CYS78 2.2 7.4 1.0 SD A:MET86 2.5 9.6 0.5 SD A:MET86 2.6 9.6 0.5 CE1 A:HIS40 3.0 7.8 1.0 CE1 A:HIS81 3.0 9.8 1.0 CG A:HIS81 3.0 9.4 1.0 CG A:HIS40 3.1 7.3 1.0 CB A:CYS78 3.2 7.5 1.0 CB A:HIS81 3.3 8.8 1.0 CE A:MET86 3.4 9.4 0.5 CB A:HIS40 3.5 7.2 1.0 CE A:MET86 3.5 9.7 0.5 CA A:HIS40 3.7 7.5 1.0 CG A:MET86 3.9 9.3 0.5 CG A:MET86 3.9 9.3 0.5 NE2 A:HIS81 4.1 10.2 1.0 NE2 A:HIS40 4.1 7.5 1.0 CD2 A:HIS81 4.2 10.0 1.0 O A:SER39 4.2 9.2 1.0 CD2 A:HIS40 4.2 7.2 1.0 CB A:MET86 4.3 9.4 0.5 CB A:MET86 4.4 9.4 0.5 N A:HIS40 4.5 7.9 1.0 CA A:CYS78 4.6 7.5 1.0 C A:SER39 4.6 8.6 1.0 CA A:HIS81 4.6 8.6 1.0 N A:HIS81 4.6 8.7 1.0 CG A:PRO80 4.7 9.7 1.0 N A:ASN41 4.7 7.1 1.0 C A:HIS40 4.8 7.6 1.0 OG A:SER39 5.0 8.5 1.0

Copper binding site 2 out of 2 in the Three-Dimensional Structure of Paracoccus Pantotrophus Pseudoazurin at pH 6.5


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 Paracoccus Pantotrophus Pseudoazurin at pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu1124 b:9.8 occ:1.00 ND1 B:HIS81 2.1 12.0 1.0 ND1 B:HIS40 2.1 8.6 1.0 SG B:CYS78 2.2 7.4 1.0 SD B:MET86 2.7 6.4 1.0 CE1 B:HIS81 3.0 13.6 1.0 CE1 B:HIS40 3.1 9.0 1.0 CG B:HIS81 3.1 12.2 1.0 CG B:HIS40 3.1 7.9 1.0 CB B:CYS78 3.2 7.0 1.0 CE B:MET86 3.3 7.0 1.0 CB B:HIS81 3.4 10.7 1.0 CB B:HIS40 3.4 7.8 1.0 CA B:HIS40 3.6 8.3 1.0 CG B:MET86 4.1 6.1 1.0 NE2 B:HIS81 4.1 14.1 1.0 NE2 B:HIS40 4.2 8.7 1.0 CD2 B:HIS81 4.2 13.5 1.0 O B:SER39 4.2 11.7 1.0 CD2 B:HIS40 4.2 8.0 1.0 CG B:PRO80 4.4 11.0 1.0 N B:HIS40 4.5 9.1 1.0 CA B:CYS78 4.6 6.8 1.0 CB B:MET86 4.6 6.2 1.0 N B:HIS81 4.6 10.2 1.0 CA B:HIS81 4.6 9.9 1.0 N B:ASN41 4.6 7.3 1.0 C B:SER39 4.7 10.9 1.0 C B:HIS40 4.7 8.1 1.0 SD B:MET16 4.9 11.0 0.5 CD B:PRO80 4.9 11.0 1.0 C B:CYS78 4.9 7.5 1.0 OG B:SER39 4.9 11.0 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.