Zinc 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:

Copper

(Cu)

2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Human I113T SOD1 Mutant Complexed with Dopamine in the P21 Space Group, PDB code: 4a7v:
Jump to Zinc binding site number: 1; 2;

Zinc 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 Zinc with other atoms in the Zn 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:Zn1158 b:10.6 occ:1.00 OD1 A:ASP83 2.0 10.5 1.0 ND1 A:HIS63 2.0 10.8 1.0 ND1 A:HIS80 2.0 11.2 1.0 ND1 A:HIS71 2.0 10.9 1.0 CG A:ASP83 2.7 10.1 1.0 OD2 A:ASP83 2.8 10.7 1.0 CE1 A:HIS71 2.9 10.8 1.0 CE1 A:HIS80 2.9 12.2 1.0 CE1 A:HIS63 3.0 11.6 1.0 CG A:HIS63 3.0 10.9 1.0 CG A:HIS80 3.1 11.2 1.0 CG A:HIS71 3.2 10.8 1.0 CB A:HIS63 3.4 11.2 1.0 CB A:HIS80 3.6 10.7 1.0 CB A:HIS71 3.6 12.1 1.0 CA A:HIS71 3.9 12.0 1.0 O A:LYS136 4.0 16.4 1.0 NE2 A:HIS80 4.0 13.3 1.0 NE2 A:HIS71 4.1 11.7 1.0 NE2 A:HIS63 4.1 13.1 1.0 CD2 A:HIS80 4.1 12.7 1.0 CB A:ASP83 4.2 10.2 1.0 CD2 A:HIS63 4.2 13.8 1.0 CD2 A:HIS71 4.2 11.8 1.0 N A:HIS80 4.7 11.0 1.0 N A:GLY72 4.7 11.4 1.0 CA A:ASP83 4.7 10.0 1.0 CA A:HIS80 4.8 10.8 1.0 C A:HIS71 4.9 11.9 1.0 O A:HOH2072 4.9 17.6 1.0 N A:HIS71 4.9 12.9 1.0 CD2 A:HIS46 4.9 11.6 1.0 CA A:HIS63 4.9 10.4 1.0 C A:LYS136 4.9 15.2 1.0 N A:ASP83 4.9 9.6 1.0 O A:GLY72 5.0 12.4 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn1157 b:10.8 occ:1.00 OD1 F:ASP83 2.0 11.0 1.0 ND1 F:HIS80 2.0 11.2 1.0 ND1 F:HIS63 2.0 10.4 1.0 ND1 F:HIS71 2.1 11.8 1.0 CG F:ASP83 2.7 11.4 1.0 OD2 F:ASP83 2.8 12.6 1.0 CE1 F:HIS80 2.9 11.9 1.0 CE1 F:HIS71 2.9 11.3 1.0 CE1 F:HIS63 3.0 11.9 1.0 CG F:HIS63 3.1 10.7 1.0 CG F:HIS80 3.1 11.1 1.0 CG F:HIS71 3.2 11.5 1.0 CB F:HIS63 3.4 10.6 1.0 CB F:HIS80 3.5 11.4 1.0 CB F:HIS71 3.6 12.2 1.0 O F:LYS136 3.9 15.1 1.0 CA F:HIS71 3.9 12.8 1.0 NE2 F:HIS80 4.0 12.5 1.0 NE2 F:HIS71 4.1 12.1 1.0 CD2 F:HIS80 4.1 12.2 1.0 NE2 F:HIS63 4.1 12.6 1.0 CB F:ASP83 4.2 11.3 1.0 CD2 F:HIS63 4.2 12.4 1.0 CD2 F:HIS71 4.2 12.3 1.0 CA F:ASP83 4.7 11.4 1.0 N F:GLY72 4.7 12.8 1.0 N F:HIS80 4.7 11.9 1.0 CA F:HIS80 4.8 11.4 1.0 O F:HOH2041 4.9 17.7 1.0 CD2 F:HIS46 4.9 12.9 1.0 C F:LYS136 4.9 14.9 1.0 C F:HIS71 4.9 12.7 1.0 N F:ASP83 4.9 10.9 1.0 N F:HIS71 4.9 13.3 1.0 CA F:HIS63 5.0 10.2 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