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Zinc in PDB 3cqp: Human SOD1 G85R Variant, Structure I

Enzymatic activity of Human SOD1 G85R Variant, Structure I

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

Protein crystallography data

The structure of Human SOD1 G85R Variant, Structure I, PDB code: 3cqp was solved by X.Cao, S.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, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.95
Space group I 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.472, 116.808, 147.764, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 22.3

Other elements in 3cqp:

The structure of Human SOD1 G85R Variant, Structure I also contains other interesting chemical elements:

Copper (Cu) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Human SOD1 G85R Variant, Structure I (pdb code 3cqp). 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 I, PDB code: 3cqp:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 3cqp

Go back to Zinc Binding Sites List in 3cqp
Zinc binding site 1 out of 3 in the Human SOD1 G85R Variant, Structure I


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 I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn155

b:24.4
occ:1.00
ND1 A:HIS63 1.9 16.4 1.0
OD1 A:ASP83 2.0 17.2 1.0
ND1 A:HIS80 2.1 16.0 1.0
ND1 A:HIS71 2.1 17.4 1.0
CG A:ASP83 2.7 16.0 1.0
OD2 A:ASP83 2.8 17.3 1.0
CE1 A:HIS63 2.9 18.5 1.0
CE1 A:HIS80 2.9 16.6 1.0
CE1 A:HIS71 3.0 17.9 1.0
CG A:HIS63 3.0 17.1 1.0
CG A:HIS80 3.1 15.6 1.0
CG A:HIS71 3.2 17.6 1.0
CB A:HIS63 3.4 17.0 1.0
CB A:HIS80 3.5 15.4 1.0
CB A:HIS71 3.6 18.1 1.0
O A:LYS136 3.8 22.9 1.0
CA A:HIS71 4.0 18.4 1.0
NE2 A:HIS63 4.0 18.9 1.0
NE2 A:HIS80 4.1 17.0 1.0
CD2 A:HIS63 4.1 18.9 1.0
CD2 A:HIS80 4.1 16.4 1.0
NE2 A:HIS71 4.1 18.3 1.0
CB A:ASP83 4.2 17.3 1.0
CD2 A:HIS71 4.3 18.8 1.0
N A:GLY72 4.6 18.3 1.0
N A:HIS80 4.7 16.8 1.0
CA A:HIS80 4.7 16.3 1.0
CA A:ASP83 4.7 16.7 1.0
C A:LYS136 4.8 23.2 1.0
C A:HIS71 4.9 18.5 1.0
CD2 A:HIS46 4.9 17.9 1.0
N A:ASP83 4.9 16.2 1.0
O A:HOH171 4.9 18.3 1.0
CA A:HIS63 5.0 16.9 1.0

Zinc binding site 2 out of 3 in 3cqp

Go back to Zinc Binding Sites List in 3cqp
Zinc binding site 2 out of 3 in the Human SOD1 G85R Variant, Structure I


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 I within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn155

b:23.9
occ:1.00
OD1 B:ASP83 2.0 19.3 1.0
ND1 B:HIS80 2.0 17.6 1.0
ND1 B:HIS63 2.1 17.4 1.0
ND1 B:HIS71 2.1 16.9 1.0
CG B:ASP83 2.8 19.0 1.0
OD2 B:ASP83 2.9 21.4 1.0
CE1 B:HIS71 2.9 16.4 1.0
CE1 B:HIS80 3.0 18.8 1.0
CE1 B:HIS63 3.0 17.8 1.0
CG B:HIS80 3.1 18.6 1.0
CG B:HIS63 3.1 17.6 1.0
CG B:HIS71 3.2 18.8 1.0
CB B:HIS63 3.4 17.0 1.0
CB B:HIS80 3.5 18.2 1.0
CB B:HIS71 3.7 20.2 1.0
O B:LYS136 3.9 20.2 1.0
CA B:HIS71 4.0 21.6 1.0
NE2 B:HIS80 4.1 18.9 1.0
NE2 B:HIS71 4.1 16.5 1.0
CD2 B:HIS80 4.1 18.7 1.0
NE2 B:HIS63 4.2 17.4 1.0
CD2 B:HIS63 4.2 17.9 1.0
CB B:ASP83 4.2 19.3 1.0
CD2 B:HIS71 4.3 18.8 1.0
N B:GLY72 4.7 23.0 1.0
N B:HIS80 4.7 20.2 1.0
CA B:HIS80 4.7 19.3 1.0
CA B:ASP83 4.7 18.6 1.0
O B:HOH161 4.8 16.7 1.0
C B:LYS136 4.9 20.5 1.0
CD2 B:HIS46 4.9 17.4 1.0
C B:HIS71 4.9 22.2 1.0
CA B:HIS63 4.9 17.0 1.0
N B:ASP83 5.0 18.8 1.0
N B:HIS71 5.0 21.9 1.0

Zinc binding site 3 out of 3 in 3cqp

Go back to Zinc Binding Sites List in 3cqp
Zinc binding site 3 out of 3 in the Human SOD1 G85R Variant, Structure I


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 I within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn155

b:24.5
occ:1.00
OD1 D:ASP83 1.9 15.9 1.0
ND1 D:HIS80 2.0 15.6 1.0
ND1 D:HIS63 2.1 21.7 1.0
ND1 D:HIS71 2.1 18.1 1.0
CG D:ASP83 2.7 17.9 1.0
OD2 D:ASP83 2.9 17.4 1.0
CE1 D:HIS80 2.9 17.3 1.0
CE1 D:HIS71 2.9 18.6 1.0
CE1 D:HIS63 3.0 23.6 1.0
CG D:HIS63 3.1 21.7 1.0
CG D:HIS80 3.1 16.8 1.0
CG D:HIS71 3.2 19.9 1.0
CB D:HIS63 3.4 20.6 1.0
CB D:HIS80 3.6 16.4 1.0
CB D:HIS71 3.6 20.8 1.0
CA D:HIS71 3.9 20.4 1.0
NE2 D:HIS80 4.0 18.3 1.0
O D:LYS136 4.1 26.8 1.0
NE2 D:HIS71 4.1 19.7 1.0
NE2 D:HIS63 4.1 24.6 1.0
CD2 D:HIS80 4.2 17.6 1.0
CB D:ASP83 4.2 18.3 1.0
CD2 D:HIS63 4.2 23.8 1.0
CD2 D:HIS71 4.3 20.6 1.0
N D:GLY72 4.6 20.5 1.0
N D:HIS80 4.7 16.9 1.0
CA D:ASP83 4.7 18.0 1.0
CA D:HIS80 4.8 17.0 1.0
C D:HIS71 4.8 20.7 1.0
N D:ASP83 4.9 17.7 1.0
N D:HIS71 4.9 21.4 1.0
CA D:HIS63 4.9 20.0 1.0
O D:HOH222 4.9 32.6 1.0
CD2 D:HIS46 4.9 18.7 1.0
C D:LYS136 5.0 27.1 1.0

Reference:

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
Page generated: Thu Oct 24 11:55:25 2024

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