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Zinc in PDB 7h3y: Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z1203107138 (A71EV2A-X0517)

Enzymatic activity of Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z1203107138 (A71EV2A-X0517)

All present enzymatic activity of Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z1203107138 (A71EV2A-X0517):
3.4.22.29;

Protein crystallography data

The structure of Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z1203107138 (A71EV2A-X0517), PDB code: 7h3y was solved by R.M.Lithgo, M.Fairhead, L.Koekemoer, B.H.Balcomb, E.Capkin, A.V.Chandran, M.Golding, A.S.Godoy, J.C.Aschenbrenner, P.G.Marples, X.Ni, W.Thompson, C.W.E.Tomlinson, C.Wild, M.Winokan, M.-A.E.Xavier, D.Fearon, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.24 / 1.11
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 86.217, 56.577, 32.439, 90, 95.32, 90
R / Rfree (%) 17.9 / 19.6

Other elements in 7h3y:

The structure of Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z1203107138 (A71EV2A-X0517) also contains other interesting chemical elements:

Fluorine (F) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z1203107138 (A71EV2A-X0517) (pdb code 7h3y). 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 Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z1203107138 (A71EV2A-X0517), PDB code: 7h3y:

Zinc binding site 1 out of 1 in 7h3y

Go back to Zinc Binding Sites List in 7h3y
Zinc binding site 1 out of 1 in the Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z1203107138 (A71EV2A-X0517)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z1203107138 (A71EV2A-X0517) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn202

b:9.4
occ:1.00
 ND1 A:HIS118 2.1 10.0 1.0
SG A:CYS116 2.3 9.3 1.0
SG A:CYS58 2.3 10.7 1.0
SG A:CYS56 2.3 9.3 1.0
CE1 A:HIS118 3.0 11.0 1.0
CG A:HIS118 3.1 10.4 1.0
CB A:CYS58 3.2 10.6 1.0
CB A:CYS56 3.2 8.2 1.0
CB A:CYS116 3.3 8.7 1.0
CB A:HIS118 3.5 10.4 1.0
N A:HIS118 3.9 11.0 1.0
NE2 A:HIS118 4.1 12.7 1.0
N A:CYS58 4.2 9.9 1.0
CD2 A:HIS118 4.2 11.4 1.0
CA A:CYS58 4.2 9.4 1.0
CA A:HIS118 4.3 10.9 1.0
CG A:GLN117 4.4 15.9 1.0
N A:GLN117 4.4 11.3 1.0
CB A:ALA54 4.5 8.8 1.0
CA A:CYS116 4.6 9.6 1.0
CA A:CYS56 4.7 8.7 1.0
O A:HOH479 4.7 18.7 1.0
C A:CYS116 4.8 9.3 1.0
C A:GLN117 4.9 12.0 1.0

Reference:

R.M.Lithgo, M.Fairhead, L.Koekemoer, B.H.Balcomb, E.Capkin, A.V.Chandran, M.Golding, A.S.Godoy, J.C.Aschenbrenner, P.G.Marples, X.Ni, W.Thompson, C.W.E.Tomlinson, C.Wild, M.Winokan, M.-A.E.Xavier, D.Fearon, F.Von Delft. Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease To Be Published.
Page generated: Tue Oct 29 20:47:28 2024

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