Zinc in PDB 4a7u: Structure of Human I113T SOD1 Complexed with Adrenaline in the P21 Space Group.

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

The structure of Structure of Human I113T SOD1 Complexed with Adrenaline in the P21 Space Group., PDB code: 4a7u 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)	37.05 / 0.98
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.300, 68.100, 50.200, 90.00, 104.70, 90.00
R / Rfree (%)	13.803 / 15.349

The structure of Structure of Human I113T SOD1 Complexed with Adrenaline 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 Complexed with Adrenaline in the P21 Space Group. (pdb code 4a7u). 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 Complexed with Adrenaline in the P21 Space Group., PDB code: 4a7u:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of Human I113T SOD1 Complexed with Adrenaline 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 Complexed with Adrenaline in the P21 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1158 b:9.3 occ:1.00 OD1 A:ASP83 2.0 9.2 1.0 ND1 A:HIS63 2.0 9.4 1.0 ND1 A:HIS80 2.0 9.8 1.0 ND1 A:HIS71 2.0 9.3 1.0 CG A:ASP83 2.7 8.8 1.0 OD2 A:ASP83 2.8 9.5 1.0 CE1 A:HIS71 2.9 9.4 1.0 CE1 A:HIS80 2.9 10.3 1.0 CE1 A:HIS63 3.0 10.3 1.0 CG A:HIS63 3.0 9.8 1.0 CG A:HIS80 3.1 9.6 1.0 CG A:HIS71 3.2 9.8 1.0 CB A:HIS63 3.4 10.0 1.0 CB A:HIS80 3.6 9.2 1.0 CB A:HIS71 3.6 10.4 1.0 O A:LYS136 3.9 13.2 1.0 CA A:HIS71 4.0 10.3 1.0 NE2 A:HIS80 4.0 11.4 1.0 NE2 A:HIS71 4.1 10.0 1.0 NE2 A:HIS63 4.1 11.7 1.0 CD2 A:HIS80 4.2 11.0 1.0 CB A:ASP83 4.2 8.8 1.0 CD2 A:HIS63 4.2 12.1 1.0 CD2 A:HIS71 4.2 10.1 1.0 N A:HIS80 4.7 9.3 1.0 CA A:ASP83 4.7 8.7 1.0 N A:GLY72 4.7 10.0 1.0 CA A:HIS80 4.8 9.3 1.0 O A:HOH2088 4.8 17.8 1.0 CD2 A:HIS46 4.9 10.3 1.0 C A:HIS71 4.9 10.4 1.0 C A:LYS136 4.9 12.5 1.0 N A:HIS71 4.9 10.8 1.0 CA A:HIS63 4.9 9.6 1.0 N A:ASP83 5.0 8.4 1.0

Zinc binding site 2 out of 2 in the Structure of Human I113T SOD1 Complexed with Adrenaline 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 Complexed with Adrenaline in the P21 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn1157 b:10.0 occ:1.00 OD1 F:ASP83 2.0 9.9 1.0 ND1 F:HIS80 2.0 9.8 1.0 ND1 F:HIS63 2.0 9.8 1.0 ND1 F:HIS71 2.0 10.8 1.0 CG F:ASP83 2.7 10.1 1.0 OD2 F:ASP83 2.9 11.1 1.0 CE1 F:HIS71 2.9 10.8 1.0 CE1 F:HIS80 2.9 10.6 1.0 CE1 F:HIS63 3.0 10.7 1.0 CG F:HIS63 3.1 10.1 1.0 CG F:HIS80 3.1 9.6 1.0 CG F:HIS71 3.1 11.5 1.0 CB F:HIS63 3.4 10.0 1.0 CB F:HIS80 3.6 9.9 1.0 CB F:HIS71 3.6 11.8 1.0 O F:LYS136 3.9 13.8 1.0 CA F:HIS71 3.9 11.9 1.0 NE2 F:HIS80 4.0 11.1 1.0 NE2 F:HIS71 4.1 12.1 1.0 NE2 F:HIS63 4.1 11.8 1.0 CD2 F:HIS80 4.1 10.9 1.0 CB F:ASP83 4.2 10.7 1.0 CD2 F:HIS63 4.2 11.6 1.0 CD2 F:HIS71 4.2 12.2 1.0 N F:GLY72 4.7 12.7 1.0 CA F:ASP83 4.7 10.6 1.0 N F:HIS80 4.7 10.7 1.0 CA F:HIS80 4.8 10.3 1.0 CD2 F:HIS46 4.8 11.8 1.0 C F:HIS71 4.9 12.4 1.0 C F:LYS136 4.9 13.1 1.0 O F:HOH2058 4.9 14.7 1.0 N F:HIS71 4.9 12.6 1.0 CA F:HIS63 4.9 9.3 1.0 N F:ASP83 4.9 9.5 1.0 O F:GLY72 5.0 13.5 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