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Copper in PDB 5in2: Crystal Structure of Extra Cellular Cu/Zn Superoxide Dismutase From Onchocerca Volvulus at 1.5 Angstrom; Insight Into Novel Binding Site and New Inhibitors

Enzymatic activity of Crystal Structure of Extra Cellular Cu/Zn Superoxide Dismutase From Onchocerca Volvulus at 1.5 Angstrom; Insight Into Novel Binding Site and New Inhibitors

All present enzymatic activity of Crystal Structure of Extra Cellular Cu/Zn Superoxide Dismutase From Onchocerca Volvulus at 1.5 Angstrom; Insight Into Novel Binding Site and New Inhibitors:
1.15.1.1;

Protein crystallography data

The structure of Crystal Structure of Extra Cellular Cu/Zn Superoxide Dismutase From Onchocerca Volvulus at 1.5 Angstrom; Insight Into Novel Binding Site and New Inhibitors, PDB code: 5in2 was solved by A.Moustafa, C.Betzel, M.Perbandt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.29 / 1.55
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 58.410, 58.410, 77.630, 90.00, 90.00, 120.00
R / Rfree (%) 16 / 18.1

Other elements in 5in2:

The structure of Crystal Structure of Extra Cellular Cu/Zn Superoxide Dismutase From Onchocerca Volvulus at 1.5 Angstrom; Insight Into Novel Binding Site and New Inhibitors also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Chlorine (Cl) 1 atom

Copper Binding Sites:

The binding sites of Copper atom in the Crystal Structure of Extra Cellular Cu/Zn Superoxide Dismutase From Onchocerca Volvulus at 1.5 Angstrom; Insight Into Novel Binding Site and New Inhibitors (pdb code 5in2). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total only one binding site of Copper was determined in the Crystal Structure of Extra Cellular Cu/Zn Superoxide Dismutase From Onchocerca Volvulus at 1.5 Angstrom; Insight Into Novel Binding Site and New Inhibitors, PDB code: 5in2:

Copper binding site 1 out of 1 in 5in2

Go back to Copper Binding Sites List in 5in2
Copper binding site 1 out of 1 in the Crystal Structure of Extra Cellular Cu/Zn Superoxide Dismutase From Onchocerca Volvulus at 1.5 Angstrom; Insight Into Novel Binding Site and New Inhibitors


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Extra Cellular Cu/Zn Superoxide Dismutase From Onchocerca Volvulus at 1.5 Angstrom; Insight Into Novel Binding Site and New Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu203

b:21.4
occ:0.80
 NE2 A:HIS120 1.9 22.3 1.0
NE2 A:HIS48 2.0 17.5 1.0
O1 A:SO4204 2.1 17.8 0.7
ND1 A:HIS46 2.1 22.6 1.0
CE1 A:HIS48 2.7 18.8 1.0
HE1 A:HIS48 2.8 22.5 1.0
CE1 A:HIS120 2.8 19.7 1.0
CE1 A:HIS46 2.9 24.5 1.0
HE1 A:HIS120 2.9 23.6 1.0
CD2 A:HIS120 3.0 20.7 1.0
HE1 A:HIS46 3.0 29.4 1.0
HB2 A:HIS46 3.1 23.6 1.0
NE2 A:HIS63 3.2 27.4 1.0
CG A:HIS46 3.2 18.9 1.0
CD2 A:HIS48 3.2 17.3 1.0
HD2 A:HIS120 3.3 24.8 1.0
S A:SO4204 3.3 24.9 0.7
HD2 A:HIS63 3.5 29.0 1.0
HD2 A:HIS48 3.6 20.7 1.0
CD2 A:HIS63 3.6 24.1 1.0
O2 A:SO4204 3.6 25.2 0.7
CB A:HIS46 3.6 19.7 1.0
HB A:VAL118 3.8 20.6 1.0
ND1 A:HIS120 3.9 19.3 1.0
ND1 A:HIS48 4.0 19.3 1.0
CG A:HIS120 4.0 18.5 1.0
HG11 A:VAL118 4.1 23.1 1.0
NE2 A:HIS46 4.1 20.5 1.0
HB3 A:HIS46 4.1 23.6 1.0
O3 A:SO4204 4.1 27.3 0.7
CE1 A:HIS63 4.2 20.7 1.0
CG A:HIS48 4.2 17.6 1.0
O4 A:SO4204 4.3 30.0 0.7
CD2 A:HIS46 4.3 22.7 1.0
HG12 A:VAL118 4.4 23.1 1.0
HG2 A:ARG146 4.5 22.1 1.0
O A:HOH306 4.5 30.6 1.0
HE1 A:HIS63 4.5 24.9 1.0
CG1 A:VAL118 4.5 19.3 1.0
CB A:VAL118 4.6 17.2 1.0
HE A:ARG146 4.6 27.0 1.0
CG A:HIS63 4.8 21.9 1.0
H A:HIS46 4.8 21.5 1.0
HG21 A:VAL118 4.9 21.9 1.0
CA A:HIS46 4.9 16.9 1.0
N A:HIS46 5.0 17.9 1.0

Reference:

A.Moustafa, C.Betzel, M.Perbandt. Crystal Structure of Extracellular Cu/Zn Superoxide Dismutase From Onchocerca Volvulus at 1.5 Angstrom; Insight Into Novel Binding Site and New Inhibitors To Be Published.
Page generated: Sun Dec 13 11:18:03 2020

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