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Zinc in PDB 7h42: 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 Z124039706 (A71EV2A-X0540)

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 Z124039706 (A71EV2A-X0540)

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 Z124039706 (A71EV2A-X0540):
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 Z124039706 (A71EV2A-X0540), PDB code: 7h42 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) 47.21 / 1.24
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 86.611, 56.422, 32.444, 90, 95.39, 90
R / Rfree (%) 17.3 / 18.8

Other elements in 7h42:

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 Z124039706 (A71EV2A-X0540) 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 Z124039706 (A71EV2A-X0540) (pdb code 7h42). 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 Z124039706 (A71EV2A-X0540), PDB code: 7h42:

Zinc binding site 1 out of 1 in 7h42

Go back to Zinc Binding Sites List in 7h42
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 Z124039706 (A71EV2A-X0540)


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 Z124039706 (A71EV2A-X0540) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn202

b:12.3
occ:1.00
 ND1 A:HIS118 2.0 13.3 1.0
SG A:CYS116 2.3 11.8 1.0
SG A:CYS58 2.3 13.5 1.0
SG A:CYS56 2.3 12.2 1.0
CE1 A:HIS118 3.0 14.8 1.0
CG A:HIS118 3.1 13.6 1.0
CB A:CYS58 3.2 13.5 1.0
CB A:CYS56 3.2 11.0 1.0
CB A:CYS116 3.3 11.2 1.0
CB A:HIS118 3.5 13.2 1.0
N A:HIS118 3.9 14.9 1.0
NE2 A:HIS118 4.1 15.8 1.0
CD2 A:HIS118 4.2 14.0 1.0
N A:CYS58 4.2 12.3 1.0
CA A:CYS58 4.2 11.8 1.0
CA A:HIS118 4.3 13.3 1.0
CG A:GLN117 4.4 18.6 1.0
N A:GLN117 4.5 14.2 1.0
CB A:ALA54 4.5 12.2 1.0
CA A:CYS116 4.6 11.7 1.0
CA A:CYS56 4.7 11.4 1.0
O A:HOH482 4.7 23.3 1.0
C A:CYS116 4.8 11.7 1.0
C A:GLN117 4.9 15.5 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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