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Zinc 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:

Chlorine (Cl) 1 atom
Copper (Cu) 1 atom

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total only one binding site of Zinc 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:

Zinc binding site 1 out of 1 in 5in2

Go back to Zinc Binding Sites List in 5in2
Zinc 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 Zinc with other atoms in the Zn 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:Zn202

b:18.3
occ:0.94
 OD1 A:ASP83 1.9 18.5 1.0
ND1 A:HIS63 2.0 18.1 1.0
ND1 A:HIS71 2.0 16.9 1.0
ND1 A:HIS80 2.1 18.8 1.0
CG A:ASP83 2.7 19.2 1.0
CE1 A:HIS71 2.9 16.9 1.0
OD2 A:ASP83 2.9 18.5 1.0
HB2 A:HIS80 2.9 20.4 1.0
CE1 A:HIS63 2.9 20.7 1.0
HE1 A:HIS71 2.9 20.2 1.0
CE1 A:HIS80 3.0 17.4 1.0
CG A:HIS63 3.1 21.9 1.0
HE1 A:HIS63 3.1 24.9 1.0
CG A:HIS80 3.1 18.7 1.0
HE1 A:HIS80 3.1 20.9 1.0
CG A:HIS71 3.2 19.0 1.0
HA A:HIS71 3.3 21.0 1.0
HB3 A:HIS63 3.3 27.6 1.0
HB2 A:HIS63 3.3 27.6 1.0
HB2 A:HIS71 3.4 21.1 1.0
CB A:HIS63 3.5 23.0 1.0
CB A:HIS80 3.5 17.0 1.0
CB A:HIS71 3.7 17.6 1.0
CA A:HIS71 3.9 17.5 1.0
HB3 A:HIS80 4.0 20.4 1.0
H A:HIS80 4.0 20.9 1.0
O A:LYS139 4.0 23.4 1.0
NE2 A:HIS71 4.1 16.6 1.0
NE2 A:HIS63 4.1 27.4 1.0
NE2 A:HIS80 4.1 19.3 1.0
H A:GLY72 4.1 22.4 1.0
CB A:ASP83 4.2 18.8 1.0
CD2 A:HIS63 4.2 24.1 1.0
CD2 A:HIS80 4.2 18.8 1.0
CD2 A:HIS71 4.2 16.8 1.0
HA A:ASP83 4.3 19.7 1.0
HA A:THR140 4.3 27.9 1.0
HB3 A:ASP83 4.5 22.5 1.0
HB3 A:HIS71 4.6 21.1 1.0
CA A:ASP83 4.7 16.4 1.0
N A:HIS80 4.7 17.4 1.0
CA A:HIS80 4.7 18.7 1.0
HB2 A:ASP83 4.7 22.5 1.0
N A:GLY72 4.7 18.7 1.0
O A:HOH352 4.7 29.4 1.0
HD2 A:HIS46 4.9 27.3 1.0
C A:HIS71 4.9 20.4 1.0
N A:ASP83 4.9 17.3 1.0
N A:HIS71 4.9 17.9 1.0
C A:LYS139 5.0 21.6 1.0
CD2 A:HIS46 5.0 22.7 1.0
CA A:HIS63 5.0 19.7 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 Oct 27 18:16:24 2024

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