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Zinc in PDB 2vr7: Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution

Enzymatic activity of Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution

All present enzymatic activity of Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution:
1.15.1.1;

Protein crystallography data

The structure of Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution, PDB code: 2vr7 was solved by S.Antonyuk, X.Cao, S.V.Seetharaman, L.J.Whitson, A.B.Taylor, S.P.Holloway, R.W.Strange, P.A.Doucette, A.Tiwari, L.J.Hayward, S.Padua, J.A.Cohlberg, J.Selverstone Valentine, 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) 20.00 / 1.58
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 36.768, 56.435, 75.028, 90.00, 102.98, 90.00
R / Rfree (%) 13.5 / 17.5

Other elements in 2vr7:

The structure of Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution also contains other interesting chemical elements:

Copper (Cu) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution (pdb code 2vr7). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution, PDB code: 2vr7:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in 2vr7

Go back to Zinc Binding Sites List in 2vr7
Zinc binding site 1 out of 6 in the Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1156

b:10.3
occ:0.70
 CU A:CU1155 1.1 17.1 0.3
NE2 A:HIS120 1.9 7.7 1.0
O1 A:SO41158 2.0 6.5 0.7
NE2 A:HIS48 2.1 8.9 1.0
ND1 A:HIS46 2.2 12.4 1.0
CE1 A:HIS120 2.7 9.3 1.0
CE1 A:HIS48 2.8 9.5 1.0
CD2 A:HIS120 3.0 8.7 1.0
CE1 A:HIS46 3.1 12.9 1.0
S A:SO41158 3.2 9.0 0.7
CD2 A:HIS48 3.3 10.0 1.0
NE2 A:HIS63 3.3 13.4 1.0
CG A:HIS46 3.3 8.8 1.0
O2 A:SO41158 3.5 9.3 0.7
CB A:HIS46 3.7 9.5 1.0
CD2 A:HIS63 3.8 12.9 1.0
ND1 A:HIS120 3.9 8.1 1.0
ND1 A:HIS48 4.0 8.2 1.0
CG A:HIS120 4.0 6.4 1.0
O4 A:SO41158 4.2 11.0 0.7
O3 A:SO41158 4.2 11.2 0.7
NE2 A:HIS46 4.3 10.4 1.0
CG A:HIS48 4.3 5.9 1.0
CE1 A:HIS63 4.3 10.3 1.0
O A:HOH2300 4.4 15.6 1.0
CD2 A:HIS46 4.4 10.4 1.0
CG1 A:VAL118 4.5 8.1 1.0
CB A:VAL118 4.6 5.9 1.0
NE A:ARG143 4.7 8.0 1.0
CG A:HIS63 4.9 8.4 1.0

Zinc binding site 2 out of 6 in 2vr7

Go back to Zinc Binding Sites List in 2vr7
Zinc binding site 2 out of 6 in the Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1157

b:10.2
occ:1.00
 OD1 A:ASP83 2.0 8.3 1.0
ND1 A:HIS63 2.0 8.4 1.0
ND1 A:HIS71 2.0 8.7 1.0
ND1 A:HIS80 2.0 9.0 1.0
CG A:ASP83 2.8 8.9 1.0
CE1 A:HIS71 2.8 8.2 1.0
OD2 A:ASP83 2.9 8.9 1.0
CE1 A:HIS63 2.9 10.3 1.0
CE1 A:HIS80 2.9 8.3 1.0
CG A:HIS63 3.0 8.4 1.0
CG A:HIS80 3.1 7.8 1.0
CG A:HIS71 3.2 8.8 1.0
CB A:HIS63 3.4 8.8 1.0
CB A:HIS80 3.5 7.6 1.0
CB A:HIS71 3.7 11.2 1.0
CA A:HIS71 4.0 10.8 1.0
NE2 A:HIS71 4.0 9.5 1.0
O A:LYS136 4.0 13.8 1.0
NE2 A:HIS80 4.1 11.2 1.0
NE2 A:HIS63 4.1 13.4 1.0
CD2 A:HIS63 4.1 12.9 1.0
CD2 A:HIS80 4.1 10.8 1.0
CB A:ASP83 4.2 7.4 1.0
CD2 A:HIS71 4.2 8.7 1.0
CA A:ASP83 4.7 7.3 1.0
N A:HIS80 4.7 7.8 1.0
CA A:HIS80 4.8 8.2 1.0
N A:GLY72 4.8 10.6 1.0
O A:HOH2297 4.9 16.3 1.0
N A:ASP83 4.9 7.8 1.0
C A:HIS71 4.9 11.7 1.0
CA A:HIS63 4.9 8.0 1.0
C A:LYS136 5.0 12.6 1.0
N A:HIS71 5.0 11.4 1.0

Zinc binding site 3 out of 6 in 2vr7

Go back to Zinc Binding Sites List in 2vr7
Zinc binding site 3 out of 6 in the Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1159

b:12.6
occ:1.00
 N A:SCN1161 1.8 15.1 1.0
N A:SCN1160 1.8 11.6 1.0
OE1 A:GLU24 2.0 12.3 1.0
CD A:GLU24 2.6 13.6 1.0
OE2 A:GLU24 2.7 15.3 1.0
C A:SCN1161 2.9 12.2 1.0
C A:SCN1160 2.9 8.4 1.0
O A:HOH2073 4.1 20.6 1.0
CG A:GLU24 4.1 14.1 1.0
S A:SCN1160 4.7 11.0 1.0
S A:SCN1161 4.7 17.0 1.0

Zinc binding site 4 out of 6 in 2vr7

Go back to Zinc Binding Sites List in 2vr7
Zinc binding site 4 out of 6 in the Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1162

b:12.8
occ:1.00
 NE2 A:HIS110 2.0 10.5 1.0
CE1 A:HIS110 3.0 10.7 1.0
CD2 A:HIS110 3.0 11.4 1.0
CD1 A:LEU67 3.8 17.1 1.0
CG A:LEU67 4.0 14.8 1.0
ND1 A:HIS110 4.1 10.4 1.0
CG A:HIS110 4.2 9.0 1.0
CG2 A:VAL81 4.4 9.5 1.0
CG A:PRO66 4.4 12.9 1.0
O A:HOH2124 4.6 42.3 1.0
CD2 A:LEU67 5.0 15.0 1.0

Zinc binding site 5 out of 6 in 2vr7

Go back to Zinc Binding Sites List in 2vr7
Zinc binding site 5 out of 6 in the Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Zn1156

b:9.7
occ:0.70
 CU F:CU1155 1.0 18.4 0.3
NE2 F:HIS120 2.0 8.7 1.0
O1 F:SO41158 2.0 6.2 0.7
NE2 F:HIS48 2.1 7.9 1.0
ND1 F:HIS46 2.2 11.8 1.0
CE1 F:HIS120 2.8 9.3 1.0
CE1 F:HIS48 2.8 10.8 1.0
CE1 F:HIS46 3.0 10.2 1.0
CD2 F:HIS120 3.1 9.2 1.0
S F:SO41158 3.2 8.8 0.7
CG F:HIS46 3.2 8.6 1.0
CD2 F:HIS48 3.3 9.6 1.0
NE2 F:HIS63 3.4 11.0 1.0
O2 F:SO41158 3.5 8.9 0.7
CB F:HIS46 3.6 8.9 1.0
CD2 F:HIS63 3.8 10.4 1.0
ND1 F:HIS120 3.9 8.6 1.0
ND1 F:HIS48 4.0 7.9 1.0
O4 F:SO41158 4.1 11.6 0.7
CG F:HIS120 4.1 7.9 1.0
O3 F:SO41158 4.2 9.0 0.7
NE2 F:HIS46 4.2 9.2 1.0
CG F:HIS48 4.3 6.3 1.0
CD2 F:HIS46 4.3 9.1 1.0
O F:HOH2269 4.4 13.5 1.0
CE1 F:HIS63 4.4 10.6 1.0
CG1 F:VAL118 4.5 7.2 1.0
CB F:VAL118 4.6 7.0 1.0
NE F:ARG143 4.6 9.0 1.0
CG F:HIS63 5.0 9.7 1.0
CA F:HIS46 5.0 7.7 1.0

Zinc binding site 6 out of 6 in 2vr7

Go back to Zinc Binding Sites List in 2vr7
Zinc binding site 6 out of 6 in the Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of G85R Als Mutant of Human Cu,Zn Superoxide Dismutase (Cuznsod) at 1.58 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Zn1157

b:10.5
occ:1.00
 OD1 F:ASP83 1.9 8.4 1.0
ND1 F:HIS63 2.0 8.0 1.0
ND1 F:HIS80 2.0 10.4 1.0
ND1 F:HIS71 2.0 9.7 1.0
CG F:ASP83 2.7 8.4 1.0
OD2 F:ASP83 2.8 9.4 1.0
CE1 F:HIS71 2.9 9.9 1.0
CE1 F:HIS80 2.9 10.6 1.0
CE1 F:HIS63 2.9 10.6 1.0
CG F:HIS63 3.0 9.7 1.0
CG F:HIS80 3.1 8.8 1.0
CG F:HIS71 3.2 9.4 1.0
CB F:HIS63 3.4 8.8 1.0
CB F:HIS80 3.5 8.1 1.0
CB F:HIS71 3.6 10.0 1.0
O F:LYS136 4.0 14.3 1.0
CA F:HIS71 4.0 10.7 1.0
NE2 F:HIS80 4.0 11.2 1.0
NE2 F:HIS71 4.1 9.4 1.0
NE2 F:HIS63 4.1 11.0 1.0
CD2 F:HIS80 4.1 11.0 1.0
CD2 F:HIS63 4.1 10.4 1.0
CB F:ASP83 4.2 8.0 1.0
CD2 F:HIS71 4.2 10.1 1.0
N F:HIS80 4.7 9.0 1.0
CA F:ASP83 4.7 7.8 1.0
CA F:HIS80 4.7 8.5 1.0
N F:GLY72 4.8 10.7 1.0
C F:LYS136 4.9 13.9 1.0
N F:ASP83 4.9 7.6 1.0
O F:HOH2268 4.9 15.5 1.0
C F:HIS71 5.0 11.0 1.0
N F:HIS71 5.0 10.3 1.0
CA F:HIS63 5.0 8.8 1.0
CA F:THR137 5.0 12.7 1.0

Reference:

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. 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 17 04:31:01 2024

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