Copper in PDB 2ccw: Crystal Structure of Azurin II at Atomic Resolution (1.13 Angstrom)

The structure of Crystal Structure of Azurin II at Atomic Resolution (1.13 Angstrom), PDB code: 2ccw was solved by K.Paraskevopoulos, M.A.Hough, R.R.Eady, S.S.Hasnain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.8 / 1.13
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	51.754, 51.754, 99.789, 90.00, 90.00, 90.00
R / Rfree (%)	12.8 / 14.6

The binding sites of Copper atom in the Crystal Structure of Azurin II at Atomic Resolution (1.13 Angstrom) (pdb code 2ccw). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total only one binding site of Copper was determined in the Crystal Structure of Azurin II at Atomic Resolution (1.13 Angstrom), PDB code: 2ccw:

Copper binding site 1 out of 1 in the Crystal Structure of Azurin II at Atomic Resolution (1.13 Angstrom)


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 Azurin II at Atomic Resolution (1.13 Angstrom) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1130 b:11.2 occ:1.00 ND1 A:HIS117 2.0 10.1 1.0 ND1 A:HIS46 2.0 10.1 1.0 SG A:CYS112 2.2 9.7 1.0 O A:GLY45 2.9 11.4 1.0 CE1 A:HIS117 3.0 10.0 1.0 CE1 A:HIS46 3.0 10.0 1.0 CG A:HIS117 3.1 9.4 1.0 CG A:HIS46 3.1 9.9 1.0 CB A:CYS112 3.2 10.1 1.0 SD A:MET121 3.3 12.6 1.0 CA A:HIS46 3.3 9.8 1.0 CB A:HIS117 3.4 9.9 1.0 CB A:HIS46 3.4 10.2 1.0 CE A:MET121 3.8 14.1 1.0 C A:GLY45 3.8 10.7 1.0 CB A:PHE114 3.8 10.5 1.0 N A:HIS46 4.1 10.4 1.0 NE2 A:HIS46 4.1 10.7 1.0 NE2 A:HIS117 4.1 10.8 1.0 CD2 A:HIS117 4.2 11.0 1.0 CD2 A:HIS46 4.2 10.6 1.0 N A:ASN47 4.5 10.2 1.0 C A:HIS46 4.5 9.9 1.0 CA A:CYS112 4.6 9.7 1.0 CG A:PHE114 4.6 9.8 1.0 CG A:MET121 4.8 13.1 1.0 SD A:MET13 4.8 19.6 0.4 N A:PHE114 4.8 9.3 1.0 CA A:HIS117 4.9 10.2 1.0 CA A:PHE114 4.9 9.5 1.0

K.Paraskevopoulos, M.Sundararajan, R.Surendran, M.A.Hough, R.R.Eady, I.H.Hillier, S.S.Hasnain. Active Site Structures and the Redox Properties of Blue Copper Proteins: Atomic Resolution Structure of Azurin II and Electronic Structure Calculations of Azurin, Plastocyanin and Stellacyanin. Dalton Trans. V. 25 3067 2006.
ISSN: ISSN 1477-9226
PubMed: 16786065
DOI: 10.1039/B513942B