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Copper 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

Copper Binding Sites:

The binding sites of Copper atom in the Human SOD1 G85R Variant, Structure I (pdb code 3cqp). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Human SOD1 G85R Variant, Structure I, PDB code: 3cqp:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in 3cqp

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Copper binding site 1 out of 4 in the Human SOD1 G85R Variant, Structure I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Human SOD1 G85R Variant, Structure I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu154

b:46.5
occ:0.80
O6 A:MLI157 1.8 49.6 1.0
NE2 A:HIS120 1.9 16.0 1.0
NE2 A:HIS48 2.0 17.2 1.0
ND1 A:HIS46 2.4 19.9 1.0
CD2 A:HIS120 2.8 16.2 1.0
CE1 A:HIS48 2.9 17.8 1.0
C2 A:MLI157 2.9 49.4 1.0
CE1 A:HIS120 3.0 15.9 1.0
CD2 A:HIS48 3.1 17.1 1.0
CG A:HIS46 3.2 17.9 1.0
NE2 A:HIS63 3.3 18.9 1.0
CE1 A:HIS46 3.4 19.6 1.0
CB A:HIS46 3.4 16.8 1.0
CD2 A:HIS63 3.5 18.9 1.0
O7 A:MLI157 3.7 48.8 1.0
C1 A:MLI157 3.8 49.5 1.0
CG A:HIS120 4.0 16.6 1.0
ND1 A:HIS120 4.0 17.6 1.0
ND1 A:HIS48 4.1 18.2 1.0
CB A:VAL118 4.1 15.1 1.0
CG A:HIS48 4.2 17.3 1.0
CG1 A:VAL118 4.3 15.4 1.0
CD2 A:HIS46 4.4 17.9 1.0
CE1 A:HIS63 4.4 18.5 1.0
NE2 A:HIS46 4.4 18.7 1.0
CA A:HIS46 4.5 16.1 1.0
N A:HIS46 4.6 15.7 1.0
CG A:HIS63 4.7 17.1 1.0
O A:VAL118 4.8 15.3 1.0
CG2 A:VAL118 4.8 14.2 1.0
C3 A:MLI157 4.8 51.3 1.0
O A:HIS46 4.9 15.8 1.0
C A:HIS46 5.0 15.7 1.0

Copper binding site 2 out of 4 in 3cqp

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Copper binding site 2 out of 4 in the Human SOD1 G85R Variant, Structure I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Human SOD1 G85R Variant, Structure I within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu154

b:43.3
occ:0.60
NE2 B:HIS120 1.9 20.1 1.0
NE2 B:HIS48 2.0 16.8 1.0
ND1 B:HIS46 2.3 18.3 1.0
CD2 B:HIS120 2.8 17.5 1.0
CE1 B:HIS48 2.9 15.7 1.0
CE1 B:HIS120 2.9 19.5 1.0
NE2 B:HIS63 3.1 17.4 1.0
CG B:HIS46 3.1 16.9 1.0
CD2 B:HIS48 3.1 14.4 1.0
O B:HOH177 3.2 33.0 1.0
CB B:HIS46 3.2 16.6 1.0
CE1 B:HIS46 3.3 20.2 1.0
CD2 B:HIS63 3.4 17.9 1.0
O B:HOH232 3.9 42.7 1.0
CG B:HIS120 3.9 16.8 1.0
ND1 B:HIS120 4.0 19.1 1.0
ND1 B:HIS48 4.0 17.0 1.0
CE1 B:HIS63 4.1 17.8 1.0
CG B:HIS48 4.2 15.3 1.0
CB B:VAL118 4.2 14.8 1.0
CD2 B:HIS46 4.3 17.4 1.0
CA B:HIS46 4.3 16.3 1.0
NE2 B:HIS46 4.3 17.4 1.0
N B:HIS46 4.4 16.2 1.0
CG1 B:VAL118 4.5 16.2 1.0
CG B:HIS63 4.6 17.6 1.0
O B:HIS46 4.8 15.7 1.0
O B:VAL118 4.8 14.8 1.0
C B:HIS46 4.8 15.9 1.0
ND1 B:HIS63 4.9 17.4 1.0
CG2 B:VAL118 4.9 14.5 1.0

Copper binding site 3 out of 4 in 3cqp

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Copper binding site 3 out of 4 in the Human SOD1 G85R Variant, Structure I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Human SOD1 G85R Variant, Structure I within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu154

b:32.8
occ:1.00
NE2 C:HIS120 2.1 24.7 1.0
NE2 C:HIS48 2.1 24.5 1.0
ND1 C:HIS46 2.3 25.8 1.0
O C:HOH204 2.4 34.8 1.0
CE1 C:HIS48 2.9 24.2 1.0
CE1 C:HIS120 3.0 24.9 1.0
CD2 C:HIS120 3.1 24.7 1.0
CG C:HIS46 3.3 25.3 1.0
CE1 C:HIS46 3.3 28.4 1.0
CD2 C:HIS48 3.3 22.5 1.0
CB C:HIS46 3.5 23.5 1.0
ND1 C:HIS48 4.1 23.9 1.0
ND1 C:HIS120 4.1 24.7 1.0
CG C:HIS120 4.1 25.1 1.0
CG C:HIS48 4.3 22.2 1.0
O C:HOH177 4.4 43.8 1.0
NE2 C:HIS46 4.4 27.9 1.0
CD2 C:HIS46 4.4 27.0 1.0
CG1 C:VAL118 4.7 21.0 1.0
CD2 C:HIS63 4.8 33.3 1.0
CB C:VAL118 4.8 20.1 1.0
CA C:HIS46 4.9 22.8 1.0

Copper binding site 4 out of 4 in 3cqp

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Copper binding site 4 out of 4 in the Human SOD1 G85R Variant, Structure I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Human SOD1 G85R Variant, Structure I within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu154

b:47.5
occ:0.80
NE2 D:HIS48 2.0 19.9 1.0
NE2 D:HIS120 2.0 21.0 1.0
ND1 D:HIS46 2.3 21.9 1.0
CE1 D:HIS48 2.7 19.3 1.0
NE2 D:HIS63 2.9 24.6 1.0
CE1 D:HIS120 2.9 21.4 1.0
CD2 D:HIS120 3.0 20.1 1.0
CD2 D:HIS48 3.2 17.8 1.0
CE1 D:HIS46 3.2 21.6 1.0
CD2 D:HIS63 3.2 23.8 1.0
CG D:HIS46 3.3 19.2 1.0
O D:HOH179 3.3 24.7 1.0
O D:HOH186 3.5 33.7 1.0
CB D:HIS46 3.6 18.5 1.0
ND1 D:HIS48 3.9 19.5 1.0
ND1 D:HIS120 4.0 22.9 1.0
CG D:HIS120 4.1 20.2 1.0
CE1 D:HIS63 4.1 23.6 1.0
CG D:HIS48 4.2 18.6 1.0
NE2 D:HIS46 4.3 21.2 1.0
CD2 D:HIS46 4.3 18.7 1.0
CG D:HIS63 4.4 21.7 1.0
CB D:VAL118 4.4 16.7 1.0
CG1 D:VAL118 4.5 16.9 1.0
CA D:HIS46 4.7 17.6 1.0
N D:HIS46 4.8 17.4 1.0
ND1 D:HIS63 4.8 21.7 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 Sep 3 17:10:20 2020
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