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Chlorine in PDB 7h1j: Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z68299550

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z68299550

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z68299550:
3.4.21.91; 3.6.1.15; 3.6.4.13;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z68299550, PDB code: 7h1j was solved by X.Ni, A.S.Godoy, P.G.Marples, M.Fairhead, B.H.Balcomb, C.W.E.Tomlinson, L.Koekemoer, J.C.Aschenbrenner, R.M.Lithgo, W.Thompson, C.Wild, E.P.Williams, M.Winokan, A.V.Chandran, D.Fearon, M.A.Walsh, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.02 / 1.55
Space group P 43 2 2
Cell size a, b, c (Å), α, β, γ (°) 42.666, 42.666, 216.082, 90, 90, 90
R / Rfree (%) 23.4 / 27

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z68299550 (pdb code 7h1j). 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 Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z68299550, PDB code: 7h1j:

Chlorine binding site 1 out of 1 in 7h1j

Go back to Chlorine Binding Sites List in 7h1j
Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z68299550


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z68299550 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:40.0
occ:0.85
 CL15 B:JOV202 0.0 40.0 0.8
C13 B:JOV202 1.7 40.0 0.8
C14 B:JOV202 2.7 40.2 0.8
C12 B:JOV202 2.7 40.0 0.8
CE1 B:TYR150 3.2 48.9 1.0
CZ B:TYR150 3.7 50.8 1.0
OG B:SER135 3.7 47.3 1.0
CA B:GLY151 3.8 42.1 1.0
CE2 B:TYR161 3.8 58.1 1.0
CD1 B:TYR150 3.8 47.5 1.0
O B:PRO131 3.9 53.9 1.0
N B:SER135 3.9 41.0 1.0
OH B:TYR150 3.9 52.6 1.0
C11 B:JOV202 4.0 40.1 0.8
C09 B:JOV202 4.0 40.3 0.8
CA B:SER135 4.1 40.3 1.0
C B:THR134 4.3 42.6 1.0
CZ B:TYR161 4.3 58.3 1.0
OH B:TYR161 4.3 58.9 1.0
CA B:ALA132 4.3 51.5 1.0
O B:TYR130 4.4 58.3 1.0
O B:ALA132 4.4 48.5 1.0
CB B:SER135 4.4 44.0 1.0
CD2 B:TYR161 4.4 57.4 1.0
C10 B:JOV202 4.5 40.2 0.8
CB B:THR134 4.5 46.0 1.0
N B:GLY151 4.5 40.8 1.0
C B:PRO131 4.6 54.4 1.0
O B:GLY151 4.7 44.4 1.0
C B:ALA132 4.7 49.0 1.0
C B:GLY151 4.7 43.2 1.0
CE2 B:TYR150 4.7 49.8 1.0
N B:ALA132 4.8 53.2 1.0
CG B:TYR150 4.8 45.9 1.0
O B:THR134 4.8 43.4 1.0
CA B:THR134 4.8 42.6 1.0
O B:TYR150 4.9 43.5 1.0
N B:THR134 4.9 41.7 1.0
C B:TYR150 4.9 42.1 1.0

Reference:

X.Ni, A.S.Godoy, P.G.Marples, M.Fairhead, B.H.Balcomb, C.W.E.Tomlinson, L.Koekemoer, J.C.Aschenbrenner, R.M.Lithgo, W.Thompson, C.Wild, E.P.Williams, M.Winokan, A.V.Chandran, D.Fearon, M.A.Walsh, F.Von Delft. Pandda Analysis Group Deposition of Zikv NS2B-NS3 Protease To Be Published.
Page generated: Mon Jul 29 22:13:40 2024

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