Copper in PDB 3u25: Crystal Structure of P. Aeruginoas Azurin Containing A Tyr-His Hydrogen Bonded Pair

The structure of Crystal Structure of P. Aeruginoas Azurin Containing A Tyr-His Hydrogen Bonded Pair, PDB code: 3u25 was solved by J.J.Warren, J.R.Winkler, H.B.Gray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.18
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.026, 56.330, 82.910, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 21.7

The binding sites of Copper atom in the Crystal Structure of P. Aeruginoas Azurin Containing A Tyr-His Hydrogen Bonded Pair (pdb code 3u25). 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 P. Aeruginoas Azurin Containing A Tyr-His Hydrogen Bonded Pair, PDB code: 3u25:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Crystal Structure of P. Aeruginoas Azurin Containing A Tyr-His Hydrogen Bonded Pair


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 P. Aeruginoas Azurin Containing A Tyr-His Hydrogen Bonded Pair within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1 b:8.3 occ:1.00 ND1 A:HIS117 2.0 9.3 1.0 ND1 A:HIS46 2.1 9.5 1.0 SG A:CYS112 2.2 8.0 1.0 O A:GLY45 2.9 7.9 1.0 CE1 A:HIS117 3.0 7.6 1.0 CE1 A:HIS46 3.0 7.7 1.0 CG A:HIS117 3.1 7.4 1.0 CG A:HIS46 3.1 7.2 1.0 SD A:MET121 3.2 9.0 1.0 CB A:CYS112 3.3 8.2 1.0 CA A:HIS46 3.4 7.6 1.0 CB A:HIS117 3.4 8.2 1.0 CB A:HIS46 3.5 7.4 1.0 CE A:MET121 3.8 9.6 1.0 C A:GLY45 3.8 7.3 1.0 CB A:PHE114 3.9 8.4 1.0 N A:HIS46 4.0 7.5 1.0 NE2 A:HIS46 4.1 7.9 1.0 NE2 A:HIS117 4.1 8.7 1.0 CD2 A:HIS117 4.2 8.4 1.0 CD2 A:HIS46 4.2 7.9 1.0 C A:HIS46 4.6 6.7 1.0 N A:ASN47 4.6 6.4 1.0 CA A:CYS112 4.7 7.0 1.0 CG A:PHE114 4.7 7.5 1.0 CG A:MET121 4.7 9.6 1.0 N A:PHE114 4.7 7.9 1.0 CA A:HIS117 4.9 8.8 1.0 CA A:PHE114 4.9 8.6 1.0 CB A:MET121 5.0 8.1 1.0

Copper binding site 2 out of 2 in the Crystal Structure of P. Aeruginoas Azurin Containing A Tyr-His Hydrogen Bonded Pair


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 P. Aeruginoas Azurin Containing A Tyr-His Hydrogen Bonded Pair within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu129 b:8.8 occ:1.00 ND1 B:HIS117 2.0 9.6 1.0 ND1 B:HIS46 2.1 10.0 1.0 SG B:CYS112 2.2 8.4 1.0 O B:GLY45 2.7 9.2 1.0 CE1 B:HIS117 3.0 8.3 1.0 CE1 B:HIS46 3.0 10.2 1.0 CG B:HIS117 3.1 8.8 1.0 CG B:HIS46 3.1 8.3 1.0 SD B:MET121 3.2 10.5 1.0 CB B:CYS112 3.3 8.1 1.0 CA B:HIS46 3.3 7.9 1.0 CB B:HIS117 3.5 9.9 1.0 CB B:HIS46 3.5 8.8 1.0 C B:GLY45 3.7 8.4 1.0 CE B:MET121 3.8 10.6 1.0 CB B:PHE114 3.8 8.4 1.0 N B:HIS46 4.0 8.7 1.0 NE2 B:HIS117 4.1 10.3 1.0 NE2 B:HIS46 4.1 8.8 1.0 CD2 B:HIS117 4.2 9.4 1.0 CD2 B:HIS46 4.2 8.7 1.0 N B:ASN47 4.5 6.9 1.0 C B:HIS46 4.5 7.0 1.0 CG B:PHE114 4.6 8.0 1.0 CA B:CYS112 4.7 8.2 1.0 CG B:MET121 4.7 10.0 1.0 N B:PHE114 4.8 7.9 1.0 CD1 B:PHE114 4.8 9.7 1.0 CA B:HIS117 4.9 9.9 1.0 CA B:PHE114 4.9 7.8 1.0 CB B:MET121 5.0 9.1 1.0

J.J.Warren, J.R.Winkler, H.B.Gray. Redox Properties of Tyrosine and Related Molecules. Febs Lett. V. 586 596 2012.
ISSN: ISSN 0014-5793
PubMed: 22210190
DOI: 10.1016/J.FEBSLET.2011.12.014