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

Protein crystallography data

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

Copper Binding Sites:

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 3u25

Go back to Copper Binding Sites List in 3u25
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 3u25

Go back to Copper Binding Sites List in 3u25
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

Reference:

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
Page generated: Sun Dec 13 11:12:29 2020

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