Copper in PDB 3oqr: C112D/M121E Azurin, pH 10.0

The structure of C112D/M121E Azurin, pH 10.0, PDB code: 3oqr was solved by K.M.Lancaster, H.B.Gray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.99 / 2.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	48.422, 55.348, 95.140, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 33.1

The binding sites of Copper atom in the C112D/M121E Azurin, pH 10.0 (pdb code 3oqr). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the C112D/M121E Azurin, pH 10.0, PDB code: 3oqr:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the C112D/M121E Azurin, pH 10.0


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of C112D/M121E Azurin, pH 10.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu129 b:71.2 occ:1.00 OD2 A:ASP112 1.8 40.5 1.0 ND1 A:HIS46 1.9 48.0 1.0 ND1 A:HIS117 1.9 53.0 1.0 OE1 A:GLU121 2.2 64.4 1.0 CE1 A:HIS46 2.8 48.5 1.0 CE1 A:HIS117 2.9 55.0 1.0 CG A:HIS46 2.9 47.5 1.0 CG A:HIS117 2.9 55.1 1.0 CG A:ASP112 3.0 40.8 1.0 CB A:HIS46 3.3 46.1 1.0 CB A:HIS117 3.3 54.3 1.0 CD A:GLU121 3.4 64.0 1.0 O A:GLY45 3.6 48.7 1.0 CA A:HIS46 3.6 45.5 1.0 OD1 A:ASP112 3.8 41.2 1.0 NE2 A:HIS46 4.0 48.6 1.0 NE2 A:HIS117 4.0 55.8 1.0 CD2 A:HIS46 4.0 47.6 1.0 CB A:ASP112 4.0 41.7 1.0 OE2 A:GLU121 4.0 66.2 1.0 CD2 A:HIS117 4.0 55.7 1.0 C A:GLY45 4.2 48.8 1.0 N A:HIS46 4.3 46.9 1.0 CG A:GLU121 4.4 60.3 1.0 CB A:PHE114 4.6 44.3 1.0 CA A:HIS117 4.8 55.3 1.0 C A:HIS46 4.8 44.0 1.0 O A:HOH178 4.8 62.0 1.0 CB A:GLU121 4.9 57.4 1.0 N A:ASN47 4.9 43.1 1.0

Copper binding site 2 out of 2 in the C112D/M121E Azurin, pH 10.0


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of C112D/M121E Azurin, pH 10.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu130 b:73.5 occ:1.00 N A:TRS131 2.1 57.5 1.0 C3 A:TRS131 2.6 57.6 1.0 C A:TRS131 2.6 57.4 1.0 O A:HOH155 2.9 52.5 1.0 N A:ALA1 3.0 54.0 1.0 O3 A:TRS131 3.3 57.8 1.0 O A:ALA1 3.4 52.4 1.0 C1 A:TRS131 3.7 57.1 1.0 C2 A:TRS131 4.0 57.5 1.0 SG A:CYS26 4.0 55.3 1.0 O1 A:TRS131 4.2 56.9 1.0 CA A:ALA1 4.3 53.8 1.0 C A:ALA1 4.3 52.9 1.0 O2 A:TRS131 4.4 56.7 1.0 OG A:SER25 4.5 52.8 1.0 O A:SER25 4.8 50.9 1.0

K.M.Lancaster, S.Sproules, J.H.Palmer, J.H.Richards, H.B.Gray. Outer-Sphere Effects on Reduction Potentials of Copper Sites in Proteins: the Curious Case of High Potential Type 2 C112D/M121E Pseudomonas Aeruginosa Azurin. J.Am.Chem.Soc. V. 132 14590 2010.
ISSN: ISSN 0002-7863
PubMed: 20879734
DOI: 10.1021/JA105731X