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Chlorine in PDB 7h2j: Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z1787627869

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z1787627869

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z1787627869:
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 Z1787627869, PDB code: 7h2j 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) 22.86 / 1.76
Space group P 43 2 2
Cell size a, b, c (Å), α, β, γ (°) 42.584, 42.584, 216.743, 90, 90, 90
R / Rfree (%) 23.2 / 29.2

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 Z1787627869 (pdb code 7h2j). 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 Z1787627869, PDB code: 7h2j:

Chlorine binding site 1 out of 1 in 7h2j

Go back to Chlorine Binding Sites List in 7h2j
Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z1787627869


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 Z1787627869 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:102.8
occ:0.88
 CL B:K07202 0.0 102.8 0.9
C9 B:K07202 1.7 101.3 0.9
C8 B:K07202 2.7 99.2 0.9
C6 B:K07202 2.7 102.2 0.9
OD1 B:ASP129 2.9 69.7 1.0
O B:TYR130 2.9 54.9 1.0
N B:K07202 3.0 104.6 0.9
CD2 B:TYR161 3.2 59.5 1.0
CG B:TYR161 3.2 59.3 1.0
C B:K07202 3.3 108.1 0.9
CB B:TYR161 3.6 59.9 1.0
CE2 B:TYR161 3.7 60.0 1.0
CD1 B:TYR161 3.8 59.5 1.0
N B:TYR130 3.8 56.3 1.0
OH B:TYR150 3.9 48.2 1.0
CG B:ASP129 3.9 68.5 1.0
N2 B:K07202 3.9 98.3 0.9
N1 B:K07202 4.0 101.2 0.9
C B:TYR130 4.0 54.9 1.0
C1 B:K07202 4.0 104.2 0.9
CZ B:TYR161 4.2 60.7 1.0
CE1 B:TYR161 4.2 60.0 1.0
C7 B:K07202 4.3 99.3 0.9
CA B:ASP129 4.4 58.2 1.0
CA B:TYR130 4.5 55.8 1.0
C B:ASP129 4.5 58.2 1.0
OD2 B:ASP129 4.6 71.4 1.0
CB B:ASP129 4.7 61.2 1.0
CZ B:TYR150 4.9 46.1 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 22:13:39 2024

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