Copper in PDB 5x31: Pseudoazurin From Alcaligenes Faecalis (Space Group P65)

The structure of Pseudoazurin From Alcaligenes Faecalis (Space Group P65), PDB code: 5x31 was solved by Y.Fukuda, E.Mizohata, T.Inoue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.92 / 2.60
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	68.686, 68.686, 94.160, 90.00, 90.00, 120.00
R / Rfree (%)	19.4 / 23.9

The binding sites of Copper atom in the Pseudoazurin From Alcaligenes Faecalis (Space Group P65) (pdb code 5x31). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Pseudoazurin From Alcaligenes Faecalis (Space Group P65), PDB code: 5x31:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Pseudoazurin From Alcaligenes Faecalis (Space Group P65)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Pseudoazurin From Alcaligenes Faecalis (Space Group P65) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:20.0 occ:1.00 SG A:CYS78 2.2 17.9 1.0 ND1 A:HIS81 2.2 22.3 1.0 ND1 A:HIS40 2.2 17.4 1.0 SD A:MET86 2.7 15.2 1.0 CE1 A:HIS81 3.1 18.4 1.0 CB A:CYS78 3.1 14.1 1.0 CE1 A:HIS40 3.2 20.8 1.0 CG A:HIS40 3.2 17.4 1.0 CG A:HIS81 3.2 22.8 1.0 CE A:MET86 3.4 16.5 1.0 CB A:HIS40 3.5 13.8 1.0 CB A:HIS81 3.6 15.2 1.0 CA A:HIS40 3.6 16.6 1.0 O A:GLY39 3.8 16.3 1.0 CG A:MET86 4.1 17.9 1.0 NE2 A:HIS81 4.3 17.3 1.0 NE2 A:HIS40 4.3 18.3 1.0 CD2 A:HIS81 4.3 20.5 1.0 CD2 A:HIS40 4.4 19.1 1.0 N A:HIS81 4.4 16.6 1.0 N A:HIS40 4.4 16.1 1.0 C A:GLY39 4.5 18.0 1.0 CG A:PRO80 4.5 15.6 1.0 CA A:CYS78 4.6 16.9 1.0 CA A:HIS81 4.6 13.9 1.0 N A:ASN41 4.6 16.7 1.0 CB A:MET86 4.7 16.5 1.0 C A:HIS40 4.7 18.4 1.0 SD A:MET16 4.7 33.8 1.0 CD A:PRO80 4.9 14.7 1.0 C A:CYS78 5.0 19.4 1.0

Copper binding site 2 out of 2 in the Pseudoazurin From Alcaligenes Faecalis (Space Group P65)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Pseudoazurin From Alcaligenes Faecalis (Space Group P65) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:19.9 occ:1.00 ND1 B:HIS40 2.1 18.8 1.0 SG B:CYS78 2.2 19.5 1.0 ND1 B:HIS81 2.2 21.3 1.0 SD B:MET86 2.8 13.7 1.0 CE1 B:HIS40 3.0 17.2 1.0 CG B:HIS40 3.1 14.5 1.0 CG B:HIS81 3.2 22.2 1.0 CE1 B:HIS81 3.2 19.2 1.0 CB B:CYS78 3.2 16.2 1.0 CB B:HIS81 3.4 16.3 1.0 CB B:HIS40 3.4 14.9 1.0 CE B:MET86 3.5 13.1 1.0 CA B:HIS40 3.6 14.4 1.0 O B:GLY39 3.7 21.3 1.0 NE2 B:HIS40 4.2 16.8 1.0 CG B:MET86 4.2 14.5 1.0 CD2 B:HIS40 4.2 14.3 1.0 NE2 B:HIS81 4.3 19.3 1.0 CD2 B:HIS81 4.3 20.8 1.0 N B:HIS40 4.4 15.1 1.0 C B:GLY39 4.4 18.8 1.0 CG B:PRO80 4.4 15.4 1.0 N B:HIS81 4.5 19.1 1.0 CA B:HIS81 4.6 19.0 1.0 CA B:CYS78 4.6 18.9 1.0 N B:ASN41 4.7 15.7 1.0 CB B:MET86 4.7 16.2 1.0 C B:HIS40 4.7 17.4 1.0 CD B:PRO80 4.8 15.1 1.0

Y.Fukuda, E.Mizohata, T.Inoue. New Molecular Packing in A Crystal of Pseudoazurin From Alcaligenes Faecalis: A Double-Helical Arrangement of Blue Copper Acta Crystallogr F Struct V. 73 159 2017BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 28291752
DOI: 10.1107/S2053230X17002631