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Copper in PDB 4a7s: Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group

Enzymatic activity of Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group

All present enzymatic activity of Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group:
1.15.1.1;

Protein crystallography data

The structure of Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group, PDB code: 4a7s was solved by G.S.A.Wright, S.V.Antonyuk, N.M.Kershaw, R.W.Strange, S.S.Hasnain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.00 / 1.06
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 38.030, 68.140, 49.050, 90.00, 104.19, 90.00
R / Rfree (%) 16.202 / 20.002

Other elements in 4a7s:

The structure of Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group also contains other interesting chemical elements:

Fluorine (F) 2 atoms
Zinc (Zn) 2 atoms

Copper Binding Sites:

The binding sites of Copper atom in the Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group (pdb code 4a7s). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group, PDB code: 4a7s:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in 4a7s

Go back to Copper Binding Sites List in 4a7s
Copper binding site 1 out of 4 in the Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu1154

b:10.2
occ:0.30
 CU A:CU1154 0.0 10.2 0.3
CU A:CU1154 1.3 8.4 0.1
NE2 A:HIS120 1.8 7.5 1.0
NE2 A:HIS48 1.9 7.8 1.0
ND1 A:HIS46 2.1 7.7 1.0
CD2 A:HIS120 2.7 6.8 1.0
CD2 A:HIS48 2.9 6.8 1.0
CE1 A:HIS48 2.9 6.3 1.0
CG A:HIS46 2.9 6.0 1.0
CE1 A:HIS120 2.9 6.8 1.0
CB A:HIS46 3.1 6.0 1.0
CE1 A:HIS46 3.2 7.7 1.0
NE2 A:HIS63 3.3 8.5 1.0
CD2 A:HIS63 3.6 7.5 1.0
O A:HOH2100 3.7 9.4 1.0
CG A:HIS120 3.9 6.5 1.0
ND1 A:HIS120 4.0 6.7 1.0
CB A:VAL118 4.0 5.4 1.0
ND1 A:HIS48 4.0 6.2 1.0
CG A:HIS48 4.0 6.2 1.0
CD2 A:HIS46 4.1 6.2 1.0
CA A:HIS46 4.1 5.0 1.0
CG1 A:VAL118 4.2 7.3 1.0
N A:HIS46 4.2 4.5 1.0
NE2 A:HIS46 4.2 7.2 1.0
O A:HOH2210 4.4 13.6 1.0
CE1 A:HIS63 4.4 6.4 1.0
O A:HIS46 4.5 5.8 1.0
O A:VAL118 4.5 5.8 1.0
C A:HIS46 4.6 4.7 1.0
CG2 A:VAL118 4.7 6.6 1.0
CG A:HIS63 4.7 6.8 1.0
C A:VAL118 5.0 4.7 1.0

Copper binding site 2 out of 4 in 4a7s

Go back to Copper Binding Sites List in 4a7s
Copper binding site 2 out of 4 in the Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu1154

b:8.4
occ:0.15
 CU A:CU1154 0.0 8.4 0.1
CU A:CU1154 1.3 10.2 0.3
ND1 A:HIS46 2.0 7.7 1.0
NE2 A:HIS63 2.2 8.5 1.0
NE2 A:HIS120 2.4 7.5 1.0
NE2 A:HIS48 2.5 7.8 1.0
CD2 A:HIS63 2.7 7.5 1.0
O A:HOH2100 2.7 9.4 1.0
CE1 A:HIS46 2.8 7.7 1.0
CG A:HIS46 2.9 6.0 1.0
CE1 A:HIS48 3.0 6.3 1.0
CE1 A:HIS120 3.1 6.8 1.0
CE1 A:HIS63 3.3 6.4 1.0
CD2 A:HIS120 3.3 6.8 1.0
CB A:HIS46 3.4 6.0 1.0
CD2 A:HIS48 3.5 6.8 1.0
NE2 A:HIS46 3.8 7.2 1.0
O A:HOH2210 3.8 13.6 1.0
CD2 A:HIS46 3.8 6.2 1.0
CG A:HIS63 3.9 6.8 1.0
ND1 A:HIS63 4.1 5.1 1.0
ND1 A:HIS48 4.1 6.2 1.0
ND1 A:HIS120 4.1 6.7 1.0
CG A:HIS120 4.3 6.5 1.0
CG A:HIS48 4.4 6.2 1.0
O A:HOH2124 4.6 12.4 0.9
CA A:HIS46 4.7 5.0 1.0
O A:HOH2188 4.8 10.6 1.0
N A:HIS46 4.9 4.5 1.0
O A:THR137 5.0 8.2 1.0

Copper binding site 3 out of 4 in 4a7s

Go back to Copper Binding Sites List in 4a7s
Copper binding site 3 out of 4 in the Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cu1155

b:7.8
occ:0.20
 CU F:CU1155 0.0 7.8 0.2
CU F:CU1155 1.2 10.1 0.1
NE2 F:HIS120 1.8 7.7 1.0
NE2 F:HIS48 1.9 7.7 1.0
ND1 F:HIS46 2.1 7.5 1.0
CD2 F:HIS120 2.7 7.3 1.0
CE1 F:HIS48 2.8 6.9 1.0
CD2 F:HIS48 2.9 6.8 1.0
CE1 F:HIS120 2.9 7.2 1.0
CG F:HIS46 3.0 6.3 1.0
CB F:HIS46 3.1 6.7 1.0
CE1 F:HIS46 3.2 8.5 1.0
NE2 F:HIS63 3.3 8.8 1.0
CD2 F:HIS63 3.5 7.7 1.0
O F:HOH2096 3.7 8.6 1.0
CG F:HIS120 3.9 6.7 1.0
ND1 F:HIS120 3.9 6.9 1.0
CB F:VAL118 3.9 6.3 1.0
ND1 F:HIS48 3.9 6.5 1.0
CG F:HIS48 4.0 6.6 1.0
CD2 F:HIS46 4.1 7.5 1.0
CA F:HIS46 4.2 6.0 1.0
CG1 F:VAL118 4.2 7.2 1.0
N F:HIS46 4.2 5.3 1.0
NE2 F:HIS46 4.2 7.5 1.0
CE1 F:HIS63 4.4 7.4 1.0
O F:HIS46 4.4 5.9 1.0
O F:HOH2225 4.4 14.8 1.0
O F:VAL118 4.5 5.9 1.0
C F:HIS46 4.6 4.6 1.0
CG2 F:VAL118 4.7 6.8 1.0
CG F:HIS63 4.7 5.8 1.0
C F:VAL118 5.0 5.2 1.0
CA F:VAL118 5.0 5.8 1.0

Copper binding site 4 out of 4 in 4a7s

Go back to Copper Binding Sites List in 4a7s
Copper binding site 4 out of 4 in the Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Structure of Human I113T SOD1 Mutant Complexed with 5- Fluorouridine in the P21 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cu1155

b:10.1
occ:0.15
 CU F:CU1155 0.0 10.1 0.1
CU F:CU1155 1.2 7.8 0.2
ND1 F:HIS46 2.1 7.5 1.0
NE2 F:HIS63 2.2 8.8 1.0
NE2 F:HIS120 2.2 7.7 1.0
NE2 F:HIS48 2.5 7.7 1.0
O F:HOH2096 2.6 8.6 1.0
CD2 F:HIS63 2.8 7.7 1.0
CE1 F:HIS46 2.8 8.5 1.0
CE1 F:HIS120 2.9 7.2 1.0
CG F:HIS46 3.0 6.3 1.0
CE1 F:HIS48 3.0 6.9 1.0
CD2 F:HIS120 3.1 7.3 1.0
CE1 F:HIS63 3.3 7.4 1.0
CB F:HIS46 3.5 6.7 1.0
CD2 F:HIS48 3.6 6.8 1.0
O F:HOH2225 3.8 14.8 1.0
NE2 F:HIS46 3.8 7.5 1.0
CD2 F:HIS46 3.9 7.5 1.0
CG F:HIS63 4.0 5.8 1.0
ND1 F:HIS120 4.0 6.9 1.0
CG F:HIS120 4.1 6.7 1.0
ND1 F:HIS48 4.2 6.5 1.0
ND1 F:HIS63 4.2 5.6 1.0
CG F:HIS48 4.5 6.6 1.0
O F:HOH2117 4.5 13.6 1.0
O F:HOH2197 4.8 12.3 1.0
CA F:HIS46 4.8 6.0 1.0
O F:THR137 4.9 8.5 1.0
N F:HIS46 5.0 5.3 1.0

Reference:

G.S.A.Wright, S.V.Antonyuk, N.M.Kershaw, R.W.Strange, S.S.Hasnain. Ligand Binding and Aggregation of Pathogenic SOD1. Nat.Commun. V. 4 1758 2013.
ISSN: ISSN 2041-1723
PubMed: 23612299
DOI: 10.1038/NCOMMS2750
Page generated: Wed Jul 31 02:34:08 2024

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