Zinc in PDB 1n19: Structure of the Hsod A4V Mutant

All present enzymatic activity of Structure of the Hsod A4V Mutant:
1.15.1.1;

The structure of Structure of the Hsod A4V Mutant, PDB code: 1n19 was solved by R.M.F.Cardoso, M.M.Thayer, M.Didonato, T.P.Lo, C.K.Bruns, E.D.Getzoff, J.A.Tainer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.90 / 1.86
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.700, 47.900, 56.200, 90.00, 96.80, 90.00
R / Rfree (%)	20.7 / 26

The structure of Structure of the Hsod A4V Mutant also contains other interesting chemical elements:

Copper

(Cu)

2 atoms

The binding sites of Zinc atom in the Structure of the Hsod A4V Mutant (pdb code 1n19). 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 the Hsod A4V Mutant, PDB code: 1n19:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of the Hsod A4V Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the Hsod A4V Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn155 b:36.0 occ:1.00 ND1 A:HIS80 1.9 31.2 1.0 OD1 A:ASP83 2.0 37.1 1.0 ND1 A:HIS71 2.0 35.7 1.0 ND1 A:HIS63 2.2 42.0 1.0 CG A:ASP83 2.7 40.6 1.0 CE1 A:HIS80 2.7 31.8 1.0 OD2 A:ASP83 2.8 38.8 1.0 CE1 A:HIS71 2.9 35.1 1.0 CG A:HIS80 3.0 34.0 1.0 CG A:HIS71 3.1 35.7 1.0 CE1 A:HIS63 3.1 43.7 1.0 CG A:HIS63 3.2 40.9 1.0 CB A:HIS63 3.5 37.6 1.0 CB A:HIS80 3.5 35.4 1.0 CB A:HIS71 3.5 38.0 1.0 NE2 A:HIS80 3.9 31.8 1.0 CA A:HIS71 3.9 41.8 1.0 CD2 A:HIS80 4.0 34.1 1.0 NE2 A:HIS71 4.1 36.8 1.0 CB A:ASP83 4.1 39.0 1.0 CD2 A:HIS71 4.2 35.5 1.0 O A:LYS136 4.2 43.2 1.0 NE2 A:HIS63 4.3 42.4 1.0 CD2 A:HIS63 4.3 42.4 1.0 N A:GLY72 4.7 44.7 1.0 N A:HIS80 4.7 40.3 1.0 CA A:HIS80 4.7 37.8 1.0 CA A:ASP83 4.7 38.9 1.0 C A:HIS71 4.8 43.9 1.0 CD2 A:HIS46 4.9 34.1 1.0 N A:HIS71 4.9 42.0 1.0 N A:ASP83 4.9 36.8 1.0 CA A:HIS63 5.0 33.4 1.0

Zinc binding site 2 out of 2 in the Structure of the Hsod A4V Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of the Hsod A4V Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn155 b:34.3 occ:1.00 ND1 B:HIS71 1.9 32.8 1.0 OD1 B:ASP83 2.0 31.4 1.0 ND1 B:HIS80 2.0 33.9 1.0 ND1 B:HIS63 2.1 30.7 1.0 CG B:ASP83 2.6 31.1 1.0 OD2 B:ASP83 2.6 33.5 1.0 CE1 B:HIS71 2.7 34.6 1.0 CE1 B:HIS80 2.9 34.4 1.0 CG B:HIS71 3.0 37.9 1.0 CE1 B:HIS63 3.0 31.0 1.0 CG B:HIS63 3.1 29.6 1.0 CG B:HIS80 3.1 35.1 1.0 CB B:HIS63 3.4 30.9 1.0 CB B:HIS71 3.6 39.5 1.0 CB B:HIS80 3.6 33.5 1.0 CA B:HIS71 3.9 41.1 1.0 NE2 B:HIS71 3.9 36.6 1.0 O B:LYS136 4.0 38.4 1.0 CB B:ASP83 4.0 33.1 1.0 CD2 B:HIS71 4.1 34.6 1.0 NE2 B:HIS80 4.1 33.6 1.0 NE2 B:HIS63 4.2 31.9 1.0 CD2 B:HIS80 4.2 34.5 1.0 CD2 B:HIS63 4.2 32.0 1.0 N B:GLY72 4.6 41.8 1.0 CA B:ASP83 4.7 33.8 1.0 N B:HIS80 4.7 33.0 1.0 CA B:HIS80 4.8 32.4 1.0 C B:HIS71 4.8 41.9 1.0 N B:HIS71 4.9 41.5 1.0 N B:ASP83 4.9 32.5 1.0 CD2 B:HIS46 4.9 33.7 1.0 CA B:HIS63 5.0 33.0 1.0 C B:LYS136 5.0 38.5 1.0

R.M.F.Cardoso, M.M.Thayer, M.Didonato, T.P.Lo, C.K.Bruns, E.D.Getzoff, J.A.Tainer. Insights Into Lou Gehrig'S Disease From the Structure and Instability of the A4V Mutant of Human Cu,Zn Superoxide Dismutase. J.Mol.Biol. V. 324 247 2002.
ISSN: ISSN 0022-2836
PubMed: 12441104
DOI: 10.1016/S0022-2836(02)01090-2