Copper in PDB 4a7v: Structure of Human I113T SOD1 Mutant Complexed with Dopamine in the P21 Space Group

All present enzymatic activity of Structure of Human I113T SOD1 Mutant Complexed with Dopamine in the P21 Space Group:
1.15.1.1;

The structure of Structure of Human I113T SOD1 Mutant Complexed with Dopamine in the P21 Space Group, PDB code: 4a7v was solved by G.S.A.Wright, S.V.Antonyuk, N.M.Kershaw, R.W.Strange, S.S.Hasnain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.19 / 1.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.396, 68.035, 49.851, 90.00, 104.82, 90.00
R / Rfree (%)	15.794 / 18.083

The structure of Structure of Human I113T SOD1 Mutant Complexed with Dopamine in the P21 Space Group also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Copper atom in the Structure of Human I113T SOD1 Mutant Complexed with Dopamine in the P21 Space Group (pdb code 4a7v). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Structure of Human I113T SOD1 Mutant Complexed with Dopamine in the P21 Space Group, PDB code: 4a7v:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Structure of Human I113T SOD1 Mutant Complexed with Dopamine in the P21 Space Group


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Structure of Human I113T SOD1 Mutant Complexed with Dopamine in the P21 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1157 b:11.2 occ:0.30 NE2 A:HIS48 1.9 11.7 1.0 NE2 A:HIS120 1.9 12.4 1.0 ND1 A:HIS46 2.1 12.8 1.0 CD2 A:HIS120 2.8 12.1 1.0 CE1 A:HIS48 2.8 11.3 1.0 CD2 A:HIS48 2.9 11.4 1.0 CG A:HIS46 2.9 10.7 1.0 CE1 A:HIS120 3.0 12.6 1.0 CB A:HIS46 3.1 11.6 1.0 CE1 A:HIS46 3.1 13.1 1.0 NE2 A:HIS63 3.4 13.1 1.0 CD2 A:HIS63 3.6 13.8 1.0 O A:HOH2054 3.8 14.6 1.0 CG A:HIS120 4.0 11.5 1.0 ND1 A:HIS48 4.0 10.9 1.0 CB A:VAL118 4.0 10.5 1.0 ND1 A:HIS120 4.0 12.0 1.0 CG A:HIS48 4.0 10.7 1.0 CA A:HIS46 4.1 9.5 1.0 CD2 A:HIS46 4.1 11.6 1.0 N A:HIS46 4.2 9.5 1.0 NE2 A:HIS46 4.2 11.9 1.0 CG1 A:VAL118 4.2 12.2 1.0 O A:HOH2133 4.4 20.9 1.0 CE1 A:HIS63 4.4 11.6 1.0 O A:HIS46 4.4 9.8 1.0 O A:VAL118 4.4 10.1 1.0 C A:HIS46 4.5 8.9 1.0 CG A:HIS63 4.7 10.9 1.0 CG2 A:VAL118 4.7 11.4 1.0 C A:VAL118 5.0 9.6 1.0

Copper binding site 2 out of 2 in the Structure of Human I113T SOD1 Mutant Complexed with Dopamine in the P21 Space Group


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Structure of Human I113T SOD1 Mutant Complexed with Dopamine in the P21 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ F:Cu1156 b:11.9 occ:0.30 NE2 F:HIS48 1.9 12.3 1.0 NE2 F:HIS120 1.9 12.6 1.0 ND1 F:HIS46 2.1 13.7 1.0 CD2 F:HIS120 2.8 12.9 1.0 CE1 F:HIS48 2.8 11.4 1.0 CD2 F:HIS48 2.9 11.6 1.0 CG F:HIS46 2.9 11.6 1.0 CE1 F:HIS120 3.0 12.9 1.0 CB F:HIS46 3.1 12.5 1.0 CE1 F:HIS46 3.2 13.7 1.0 NE2 F:HIS63 3.4 12.6 1.0 CD2 F:HIS63 3.6 12.4 1.0 O F:HOH2028 3.8 14.4 1.0 CG F:HIS120 3.9 12.5 1.0 CB F:VAL118 4.0 11.0 1.0 ND1 F:HIS48 4.0 10.8 1.0 ND1 F:HIS120 4.0 13.1 1.0 CG F:HIS48 4.0 10.6 1.0 CA F:HIS46 4.1 10.5 1.0 CD2 F:HIS46 4.2 12.9 1.0 N F:HIS46 4.2 10.6 1.0 CG1 F:VAL118 4.2 12.3 1.0 NE2 F:HIS46 4.3 12.7 1.0 O F:HOH2097 4.3 22.3 1.0 CE1 F:HIS63 4.4 11.9 1.0 O F:HIS46 4.4 10.8 1.0 O F:VAL118 4.4 11.3 1.0 C F:HIS46 4.5 9.8 1.0 CG2 F:VAL118 4.7 11.2 1.0 CG F:HIS63 4.7 10.7 1.0 C F:VAL118 4.9 10.5 1.0 CA F:VAL118 5.0 10.4 1.0

G.S.A.Wright, S.V.Antonyuk, N.M.Kershaw, R.W.Strange, S.S.Hasnain. Ligand Binding and Aggregation of Pathogenic SOD1. Nat.Commun. V. 4 1758 2013.
ISSN: ISSN 2041-1723
PubMed: 23612299
DOI: 10.1038/NCOMMS2750