Zinc in PDB 3cqq: Human SOD1 G85R Variant, Structure II

All present enzymatic activity of Human SOD1 G85R Variant, Structure II:
1.15.1.1;

The structure of Human SOD1 G85R Variant, Structure II, PDB code: 3cqq was solved by X.Cao, S.Antonyuk, L.J.Whitson, A.B.Taylor, S.P.Holloway, R.W.Strange, P.A.Doucette, J.S.Valentine, A.Tiwari, L.J.Hayward, S.Padua, J.A.Cohlberg, S.S.Hasnain, P.J.Hart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.02 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.038, 58.442, 104.539, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 24

The binding sites of Zinc atom in the Human SOD1 G85R Variant, Structure II (pdb code 3cqq). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Human SOD1 G85R Variant, Structure II, PDB code: 3cqq:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Human SOD1 G85R Variant, Structure II


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human SOD1 G85R Variant, Structure II within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn154 b:18.1 occ:0.30 OD1 A:ASP83 1.8 36.2 1.0 ND1 A:HIS71 2.1 43.9 1.0 ND1 A:HIS80 2.1 36.8 1.0 ND1 A:HIS63 2.2 35.8 1.0 CG A:ASP83 2.7 35.3 1.0 CE1 A:HIS71 2.9 44.0 1.0 OD2 A:ASP83 3.0 36.5 1.0 CE1 A:HIS80 3.0 34.8 1.0 CG A:HIS63 3.1 32.8 1.0 CG A:HIS80 3.1 36.2 1.0 CE1 A:HIS63 3.2 36.5 1.0 CG A:HIS71 3.2 44.7 1.0 CB A:HIS63 3.4 30.2 1.0 CB A:HIS80 3.5 35.7 1.0 CB A:HIS71 3.7 44.6 1.0 NE2 A:HIS71 4.1 43.5 1.0 CA A:HIS71 4.1 44.9 1.0 NE2 A:HIS80 4.1 36.1 1.0 CB A:ASP83 4.2 35.3 1.0 CD2 A:HIS80 4.2 36.8 1.0 CD2 A:HIS63 4.2 35.1 1.0 NE2 A:HIS63 4.2 37.9 1.0 CD2 A:HIS71 4.3 43.9 1.0 N A:HIS80 4.6 35.4 1.0 CA A:ASP83 4.6 35.5 1.0 CA A:HIS80 4.7 35.6 1.0 N A:GLY72 4.7 45.4 1.0 N A:ASP83 4.8 35.7 1.0 CA A:HIS63 4.9 29.3 1.0 C A:HIS71 5.0 45.1 1.0 NE2 A:HIS46 5.0 33.7 1.0

Zinc binding site 2 out of 3 in the Human SOD1 G85R Variant, Structure II


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human SOD1 G85R Variant, Structure II within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn155 b:31.0 occ:0.70 NE2 A:HIS48 2.1 29.7 1.0 NE2 A:HIS120 2.1 30.1 1.0 ND1 A:HIS46 2.4 36.4 1.0 NE2 A:HIS63 2.5 37.9 1.0 O A:HOH167 2.6 51.3 1.0 CE1 A:HIS48 2.7 31.9 1.0 CD2 A:HIS63 2.7 35.1 1.0 CE1 A:HIS120 2.8 28.0 1.0 CD2 A:HIS120 3.2 29.2 1.0 CD2 A:HIS48 3.3 29.0 1.0 CG A:HIS46 3.3 31.0 1.0 CE1 A:HIS46 3.4 33.8 1.0 CB A:HIS46 3.5 28.2 1.0 CE1 A:HIS63 3.7 36.5 1.0 ND1 A:HIS120 3.9 27.7 1.0 ND1 A:HIS48 3.9 27.3 1.0 CG A:HIS63 4.0 32.8 1.0 CG A:HIS120 4.1 27.2 1.0 CG A:HIS48 4.2 27.8 1.0 O A:HOH220 4.3 42.8 1.0 CD2 A:HIS46 4.5 32.3 1.0 ND1 A:HIS63 4.5 35.8 1.0 NE2 A:HIS46 4.5 33.7 1.0 CB A:VAL118 4.9 27.3 1.0 CA A:HIS46 4.9 27.3 1.0 CG1 A:VAL118 4.9 27.6 1.0

Zinc binding site 3 out of 3 in the Human SOD1 G85R Variant, Structure II


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Human SOD1 G85R Variant, Structure II within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn154 b:23.8 occ:0.70 NE2 B:HIS120 2.0 30.2 1.0 ND1 B:HIS46 2.0 27.1 1.0 NE2 B:HIS48 2.1 26.0 1.0 O B:HOH219 2.1 33.2 1.0 CE1 B:HIS48 2.9 29.1 1.0 CE1 B:HIS120 2.9 29.7 1.0 CD2 B:HIS120 3.0 30.1 1.0 NE2 B:HIS63 3.0 44.8 1.0 CE1 B:HIS46 3.0 28.7 1.0 CD2 B:HIS63 3.0 41.0 1.0 CG B:HIS46 3.1 27.7 1.0 CD2 B:HIS48 3.2 28.4 1.0 CB B:HIS46 3.4 26.8 1.0 ND1 B:HIS120 4.0 30.1 1.0 CG B:HIS120 4.0 29.4 1.0 ND1 B:HIS48 4.1 26.7 1.0 NE2 B:HIS46 4.1 27.6 1.0 CD2 B:HIS46 4.2 25.1 1.0 CE1 B:HIS63 4.2 42.8 1.0 CG B:HIS48 4.3 26.8 1.0 CG B:HIS63 4.3 37.1 1.0 CG1 B:VAL118 4.8 27.7 1.0 CA B:HIS46 4.9 27.7 1.0 CB B:VAL118 4.9 26.4 1.0 ND1 B:HIS63 4.9 42.0 1.0

X.Cao, S.V.Antonyuk, S.V.Seetharaman, L.J.Whitson, A.B.Taylor, S.P.Holloway, R.W.Strange, P.A.Doucette, J.S.Valentine, A.Tiwari, L.J.Hayward, S.Padua, J.A.Cohlberg, S.S.Hasnain, P.J.Hart. Structures of the G85R Variant of SOD1 in Familial Amyotrophic Lateral Sclerosis. J.Biol.Chem. V. 283 16169 2008.
ISSN: ISSN 0021-9258
PubMed: 18378676
DOI: 10.1074/JBC.M801522200