Zinc in PDB 4a7s: Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group

All present enzymatic activity of Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group:
1.15.1.1;

The structure of Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group, PDB code: 4a7s 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)	39.00 / 1.06
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.030, 68.140, 49.050, 90.00, 104.19, 90.00
R / Rfree (%)	16.202 / 20.002

The structure of Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Copper	(Cu)	4 atoms

The binding sites of Zinc atom in the Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group (pdb code 4a7s). 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 5- Fluorouridine in the P21 Space Group, PDB code: 4a7s:
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 5- Fluorouridine 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 5- Fluorouridine in the P21 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1155 b:5.0 occ:0.90 OD1 A:ASP83 1.9 5.6 1.0 ND1 A:HIS63 2.0 5.1 1.0 ND1 A:HIS71 2.0 6.5 1.0 ND1 A:HIS80 2.1 6.5 1.0 CG A:ASP83 2.7 5.1 1.0 OD2 A:ASP83 2.8 6.1 1.0 CE1 A:HIS71 2.9 6.4 1.0 CE1 A:HIS63 3.0 6.4 1.0 CE1 A:HIS80 3.0 6.4 1.0 CG A:HIS63 3.1 6.8 1.0 CG A:HIS80 3.1 6.2 1.0 CG A:HIS71 3.2 6.1 1.0 CB A:HIS63 3.4 5.4 1.0 CB A:HIS80 3.6 6.4 1.0 CB A:HIS71 3.7 6.0 1.0 O A:LYS136 3.9 9.3 1.0 CA A:HIS71 3.9 6.4 1.0 NE2 A:HIS71 4.1 5.8 1.0 NE2 A:HIS80 4.1 8.1 1.0 NE2 A:HIS63 4.1 8.5 1.0 CB A:ASP83 4.1 5.1 1.0 CD2 A:HIS63 4.2 7.5 1.0 CD2 A:HIS80 4.2 8.0 1.0 CD2 A:HIS71 4.2 6.2 1.0 CA A:ASP83 4.7 5.0 1.0 N A:HIS80 4.7 6.4 1.0 N A:GLY72 4.7 5.9 1.0 CA A:HIS80 4.8 5.9 1.0 O A:HOH2123 4.9 9.4 1.0 C A:HIS71 4.9 6.6 1.0 CD2 A:HIS46 4.9 6.2 1.0 C A:LYS136 4.9 8.6 1.0 N A:HIS71 4.9 7.6 1.0 N A:ASP83 4.9 5.0 1.0 CA A:HIS63 4.9 6.0 1.0 O A:GLY72 5.0 8.1 1.0

Zinc binding site 2 out of 2 in the Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine 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 5- Fluorouridine in the P21 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn1156 b:5.1 occ:0.90 OD1 F:ASP83 1.9 5.6 1.0 ND1 F:HIS63 2.0 5.6 1.0 ND1 F:HIS80 2.0 6.0 1.0 ND1 F:HIS71 2.0 7.4 1.0 CG F:ASP83 2.7 5.8 1.0 OD2 F:ASP83 2.8 6.8 1.0 CE1 F:HIS80 2.9 6.3 1.0 CE1 F:HIS71 2.9 6.8 1.0 CE1 F:HIS63 2.9 7.4 1.0 CG F:HIS63 3.0 5.8 1.0 CG F:HIS80 3.1 5.4 1.0 CG F:HIS71 3.2 6.7 1.0 CB F:HIS63 3.4 5.5 1.0 CB F:HIS80 3.6 6.5 1.0 CB F:HIS71 3.7 6.9 1.0 O F:LYS136 3.9 9.0 1.0 CA F:HIS71 3.9 6.9 1.0 NE2 F:HIS80 4.0 7.2 1.0 NE2 F:HIS63 4.1 8.8 1.0 NE2 F:HIS71 4.1 6.2 1.0 CB F:ASP83 4.1 5.8 1.0 CD2 F:HIS63 4.1 7.7 1.0 CD2 F:HIS80 4.1 6.7 1.0 CD2 F:HIS71 4.2 6.9 1.0 N F:GLY72 4.7 6.8 1.0 CA F:ASP83 4.7 5.8 1.0 N F:HIS80 4.7 6.9 1.0 CA F:HIS80 4.8 5.8 1.0 O F:HOH2116 4.8 9.4 1.0 CD2 F:HIS46 4.9 7.5 1.0 C F:HIS71 4.9 5.9 1.0 C F:LYS136 4.9 8.7 1.0 N F:HIS71 4.9 7.2 1.0 N F:ASP83 4.9 5.7 1.0 CA F:HIS63 5.0 5.2 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