Chlorine in PDB 6b71: Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 From Schistosoma Mansoni in Complex WITH3-(4-Chlorophenyl)-5H,6H- Imidazo[2,1-B][1,3]Thiazole

Enzymatic activity of Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 From Schistosoma Mansoni in Complex WITH3-(4-Chlorophenyl)-5H,6H- Imidazo[2,1-B][1,3]Thiazole

All present enzymatic activity of Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 From Schistosoma Mansoni in Complex WITH3-(4-Chlorophenyl)-5H,6H- Imidazo[2,1-B][1,3]Thiazole:
2.4.2.1;

Protein crystallography data

The structure of Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 From Schistosoma Mansoni in Complex WITH3-(4-Chlorophenyl)-5H,6H- Imidazo[2,1-B][1,3]Thiazole, PDB code: 6b71 was solved by M.Faheem, J.B.Neto, P.Collins, N.M.Pearce, N.F.Valadares, L.Bird, H.M.Pereira, F.V.Delft, J.A.R.G.Barbosa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 57.72 / 1.52
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 99.970, 99.970, 99.970, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 19.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 From Schistosoma Mansoni in Complex WITH3-(4-Chlorophenyl)-5H,6H- Imidazo[2,1-B][1,3]Thiazole (pdb code 6b71). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 From Schistosoma Mansoni in Complex WITH3-(4-Chlorophenyl)-5H,6H- Imidazo[2,1-B][1,3]Thiazole, PDB code: 6b71:

Chlorine binding site 1 out of 1 in 6b71

Go back to Chlorine Binding Sites List in 6b71
Chlorine binding site 1 out of 1 in the Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 From Schistosoma Mansoni in Complex WITH3-(4-Chlorophenyl)-5H,6H- Imidazo[2,1-B][1,3]Thiazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 From Schistosoma Mansoni in Complex WITH3-(4-Chlorophenyl)-5H,6H- Imidazo[2,1-B][1,3]Thiazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:43.1
occ:1.00
 CL A:A5H306 0.0 43.1 1.0
C A:A5H306 1.8 48.9 1.0
C1 A:A5H306 2.7 49.6 1.0
C5 A:A5H306 2.8 49.3 1.0
H7 A:A5H306 2.8 59.5 1.0
H5 A:A5H306 2.9 59.1 1.0
HE2 A:PHE185 2.9 40.3 1.0
HA A:TRP276 3.0 34.3 1.0
HD12 A:LEU272 3.3 43.6 1.0
HB2 A:MET275 3.3 39.2 1.0
HB2 A:TRP276 3.4 33.9 1.0
N A:TRP276 3.4 30.2 1.0
HB3 A:MET275 3.5 39.2 1.0
HZ A:PHE185 3.5 39.7 1.0
CA A:TRP276 3.5 28.6 1.0
CE2 A:PHE185 3.6 33.5 1.0
H A:TRP276 3.6 36.3 1.0
HD11 A:LEU272 3.7 43.6 1.0
C A:MET275 3.7 30.8 1.0
CB A:MET275 3.8 32.7 1.0
CZ A:PHE185 3.9 33.1 1.0
CB A:TRP276 3.9 28.2 1.0
CD1 A:LEU272 3.9 36.3 1.0
C4 A:A5H306 4.0 50.1 1.0
HG22 A:ILE179 4.0 40.4 1.0
O A:MET275 4.1 32.1 1.0
O A:LEU272 4.1 32.4 1.0
C2 A:A5H306 4.1 50.7 1.0
HD1 A:TRP276 4.4 36.5 1.0
CA A:MET275 4.4 30.9 1.0
HD22 A:ASN183 4.5 45.1 1.0
HG21 A:ILE179 4.5 40.4 1.0
HB2 A:ASN183 4.5 44.2 1.0
HD13 A:LEU272 4.5 43.6 1.0
CG A:TRP276 4.5 27.9 1.0
C3 A:A5H306 4.6 50.0 1.0
CG2 A:ILE179 4.6 33.6 1.0
ND2 A:ASN183 4.7 37.6 1.0
HG23 A:ILE179 4.7 40.4 1.0
CD2 A:PHE185 4.7 34.2 1.0
CD1 A:TRP276 4.7 30.4 1.0
H4 A:A5H306 4.7 60.1 1.0
HG A:LEU272 4.7 41.0 1.0
HB3 A:TRP276 4.8 33.9 1.0
HB3 A:ASN183 4.8 44.2 1.0
HA A:LEU272 4.8 41.6 1.0
H6 A:A5H306 4.9 60.9 1.0
HD2 A:PHE185 4.9 41.0 1.0
CG A:ASN183 4.9 37.2 1.0
C A:TRP276 4.9 29.6 1.0
CB A:ASN183 5.0 36.9 1.0
HD21 A:ASN183 5.0 45.1 1.0
CG A:LEU272 5.0 34.2 1.0

Reference:

M.Faheem, J.B.Neto, P.Collins, N.M.Pearce, N.F.Valadares, L.Bird, H.M.Pereira, F.V.Delft, J.A.R.G.Barbosa. Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 From Schistosoma Mansoni in Complex with 3-(4-Chlorophenyl)-5H,6H-Imidazo[2,1-B][1,3]Thiazole To Be Published.
Page generated: Sat Dec 12 12:45:34 2020

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