Copper in PDB 4hhw: Crystal Structure of the Pseudomonas Aeruginosa Azurin, H124NO YOH122

The structure of Crystal Structure of the Pseudomonas Aeruginosa Azurin, H124NO YOH122, PDB code: 4hhw was solved by J.J.Warren, N.Herrera, H.B.Gray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 2.00
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.669, 65.637, 72.561, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 28.1

The binding sites of Copper atom in the Crystal Structure of the Pseudomonas Aeruginosa Azurin, H124NO YOH122 (pdb code 4hhw). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Crystal Structure of the Pseudomonas Aeruginosa Azurin, H124NO YOH122, PDB code: 4hhw:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Crystal Structure of the Pseudomonas Aeruginosa Azurin, H124NO YOH122


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of the Pseudomonas Aeruginosa Azurin, H124NO YOH122 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:16.2 occ:1.00 ND1 A:HIS46 2.0 16.7 1.0 ND1 A:HIS117 2.1 9.3 1.0 SG A:CYS112 2.1 15.6 1.0 CE1 A:HIS46 2.9 17.7 1.0 O A:GLY45 2.9 18.0 1.0 CE1 A:HIS117 3.0 14.1 1.0 CG A:HIS46 3.1 20.2 1.0 CG A:HIS117 3.1 13.6 1.0 CB A:CYS112 3.2 16.5 1.0 SD A:MET121 3.2 15.1 1.0 CA A:HIS46 3.3 16.6 1.0 CB A:HIS117 3.4 13.3 1.0 CB A:HIS46 3.5 15.3 1.0 CE A:MET121 3.7 15.1 1.0 CB A:PHE114 3.8 11.6 1.0 C A:GLY45 3.9 17.8 1.0 N A:HIS46 4.1 16.8 1.0 NE2 A:HIS46 4.1 22.9 1.0 NE2 A:HIS117 4.1 17.1 1.0 CD2 A:HIS46 4.2 18.8 1.0 CD2 A:HIS117 4.2 17.3 1.0 C A:HIS46 4.6 16.6 1.0 CA A:CYS112 4.6 15.4 1.0 N A:ASN47 4.6 15.9 1.0 CG A:PHE114 4.7 19.1 1.0 CG A:MET121 4.8 14.4 1.0 N A:PHE114 4.8 13.9 1.0 CA A:PHE114 4.9 15.8 1.0 CA A:HIS117 4.9 14.1 1.0

Copper binding site 2 out of 2 in the Crystal Structure of the Pseudomonas Aeruginosa Azurin, H124NO YOH122


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of the Pseudomonas Aeruginosa Azurin, H124NO YOH122 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:16.9 occ:1.00 ND1 B:HIS46 2.0 12.8 1.0 ND1 B:HIS117 2.1 12.9 1.0 SG B:CYS112 2.2 18.6 1.0 O B:GLY45 2.8 17.6 1.0 CE1 B:HIS46 2.9 19.2 1.0 CG B:HIS46 3.1 17.5 1.0 CE1 B:HIS117 3.1 13.2 1.0 CG B:HIS117 3.1 14.8 1.0 SD B:MET121 3.2 19.2 1.0 CB B:CYS112 3.3 18.0 1.0 CA B:HIS46 3.3 18.1 1.0 CB B:HIS117 3.4 12.5 1.0 CB B:HIS46 3.5 17.7 1.0 CE B:MET121 3.7 18.9 1.0 C B:GLY45 3.8 18.6 1.0 CB B:PHE114 3.9 14.6 1.0 NE2 B:HIS46 4.0 16.5 1.0 N B:HIS46 4.0 18.1 1.0 CD2 B:HIS46 4.1 11.8 1.0 NE2 B:HIS117 4.2 16.7 1.0 CD2 B:HIS117 4.2 20.0 1.0 C B:HIS46 4.5 19.2 1.0 N B:ASN47 4.5 20.0 1.0 CA B:CYS112 4.7 18.3 1.0 CG B:PHE114 4.7 18.5 1.0 CG B:MET121 4.8 18.4 1.0 N B:PHE114 4.8 15.8 1.0 CA B:PHE114 5.0 16.6 1.0 CA B:HIS117 5.0 13.4 1.0 CB B:MET121 5.0 17.5 1.0

J.J.Warren, N.Herrera, M.G.Hill, J.R.Winkler, H.B.Gray. Electron Flow Through Nitrotyrosinate in Pseudomonas Aeruginosa Azurin. J.Am.Chem.Soc. V. 135 11151 2013.
ISSN: ISSN 0002-7863
PubMed: 23859602
DOI: 10.1021/JA403734N