Copper in PDB 2cal: Crystal Structure of HIS143MET Rusticyanin

The structure of Crystal Structure of HIS143MET Rusticyanin, PDB code: 2cal was solved by M.L.Barrett, I.Harvey, M.Sundararajan, R.Surendran, J.F.Hall, M.J.Ellis, M.A.Hough, R.W.Strange, I.H.Hillier, S.S.Hasnain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.6 / 1.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	32.297, 60.133, 37.236, 90.00, 107.44, 90.00
R / Rfree (%)	14 / 17

The binding sites of Copper atom in the Crystal Structure of HIS143MET Rusticyanin (pdb code 2cal). 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 HIS143MET Rusticyanin, PDB code: 2cal:

Copper binding site 1 out of 1 in the Crystal Structure of HIS143MET Rusticyanin


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 HIS143MET Rusticyanin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1156 b:15.0 occ:0.75 HD1 A:HIS1085 1.0 16.8 1.0 ND1 A:HIS1085 1.9 14.0 1.0 SG A:CYS1138 2.1 12.6 1.0 SD A:MET1148 2.5 12.5 1.0 SD A:MET1143 2.8 19.2 0.5 CE1 A:HIS1085 2.9 16.5 1.0 CG A:HIS1085 2.9 11.9 1.0 HB3 A:HIS1085 3.0 14.6 1.0 CB A:CYS1138 3.0 12.7 1.0 HE2 A:MET1148 3.0 23.3 1.0 HB2 A:CYS1138 3.1 15.3 1.0 HB3 A:CYS1138 3.1 15.3 1.0 HE1 A:HIS1085 3.1 19.8 1.0 CE A:MET1148 3.2 15.5 1.0 HA A:HIS1085 3.2 14.5 1.0 HB3 A:MET1143 3.3 16.8 0.5 CB A:HIS1085 3.3 12.1 1.0 HE3 A:MET1148 3.4 23.3 1.0 CG A:MET1143 3.4 12.6 0.5 HB A:ILE1140 3.4 17.6 1.0 HB2 A:MET1143 3.6 16.8 0.5 CB A:MET1143 3.7 14.0 1.0 CG A:MET1143 3.7 16.9 0.5 CA A:HIS1085 3.8 12.1 1.0 HG13 A:ILE1140 3.9 16.1 1.0 CG A:MET1148 4.0 13.6 1.0 NE2 A:HIS1085 4.0 13.9 1.0 H A:SER1086 4.0 14.6 1.0 CD2 A:HIS1085 4.0 13.0 1.0 HG2 A:MET1148 4.1 16.4 1.0 HE1 A:MET1148 4.1 23.3 1.0 CE A:MET1143 4.1 20.5 0.5 SD A:MET1143 4.2 11.5 0.5 H A:ILE1140 4.2 14.8 1.0 HB2 A:HIS1085 4.2 14.6 1.0 HG12 A:ILE1140 4.3 16.1 1.0 CB A:ILE1140 4.3 14.7 1.0 HB3 A:MET1148 4.3 15.2 1.0 CG1 A:ILE1140 4.4 13.4 1.0 HB2 A:PRO1052 4.4 18.0 1.0 CA A:CYS1138 4.5 12.1 1.0 CB A:MET1148 4.6 12.7 1.0 N A:SER1086 4.7 12.2 1.0 HB2 A:MET1148 4.7 15.2 1.0 HG3 A:MET1148 4.7 16.4 1.0 HA A:CYS1138 4.7 14.6 1.0 N A:HIS1085 4.8 12.6 1.0 C A:HIS1085 4.8 12.4 1.0 HD2 A:HIS1085 4.9 15.6 1.0 HB1 A:ALA1044 4.9 19.3 1.0 H A:HIS1085 4.9 15.2 1.0 HG23 A:ILE1140 4.9 25.9 1.0 N A:ILE1140 4.9 12.3 1.0

M.L.Barrett, I.Harvey, M.Sundararajan, R.Surendran, J.F.Hall, M.J.Ellis, M.A.Hough, R.W.Strange, I.H.Hillier, S.S.Hasnain. Atomic Resolution Crystal Structures, Exafs, and Quantum Chemical Studies of Rusticyanin and Its Two Mutants Provide Insight Into Its Unusual Properties. Biochemistry V. 45 2927 2006.
ISSN: ISSN 0006-2960
PubMed: 16503647
DOI: 10.1021/BI052372W