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Zinc in PDB 7hoc: 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 Z802821712 (A71EV2A-X0437)

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 Z802821712 (A71EV2A-X0437)

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 Z802821712 (A71EV2A-X0437):
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 Z802821712 (A71EV2A-X0437), PDB code: 7hoc 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 / 1.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 86.27, 56.4, 64.53, 90, 94.4, 90
R / Rfree (%) 19.7 / 23.2

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 Z802821712 (A71EV2A-X0437) (pdb code 7hoc). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where 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 Z802821712 (A71EV2A-X0437), PDB code: 7hoc:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 7hoc

Go back to Zinc Binding Sites List in 7hoc
Zinc binding site 1 out of 2 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 Z802821712 (A71EV2A-X0437)


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 Z802821712 (A71EV2A-X0437) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn201

b:18.0
occ:1.00
 ND1 A:HIS118 2.1 18.4 1.0
SG A:CYS58 2.3 18.7 1.0
SG A:CYS56 2.3 17.8 1.0
SG A:CYS116 2.3 16.7 1.0
CE1 A:HIS118 3.0 21.8 1.0
CB A:CYS58 3.1 17.1 1.0
CB A:CYS56 3.1 19.0 1.0
CG A:HIS118 3.1 19.3 1.0
CB A:CYS116 3.3 15.9 1.0
CB A:HIS118 3.5 20.3 1.0
N A:HIS118 4.0 18.2 1.0
NE2 A:HIS118 4.1 19.2 1.0
N A:CYS58 4.2 18.4 1.0
CA A:CYS58 4.2 18.0 1.0
CD2 A:HIS118 4.2 19.9 1.0
CA A:HIS118 4.3 20.0 1.0
O A:HOH318 4.4 52.3 1.0
CB A:ALA54 4.4 18.6 1.0
N A:GLN117 4.5 18.9 1.0
O A:HOH459 4.5 28.2 1.0
CG A:GLN117 4.5 27.7 1.0
CA A:CYS56 4.6 17.6 1.0
CA A:CYS116 4.6 17.4 1.0
C A:CYS116 4.7 18.6 1.0

Zinc binding site 2 out of 2 in 7hoc

Go back to Zinc Binding Sites List in 7hoc
Zinc binding site 2 out of 2 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 Z802821712 (A71EV2A-X0437)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 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 Z802821712 (A71EV2A-X0437) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn202

b:19.8
occ:1.00
 ND1 B:HIS118 2.1 23.5 1.0
SG B:CYS58 2.2 20.9 0.5
SG B:CYS56 2.3 20.9 0.5
SG B:CYS116 2.3 17.3 1.0
CE1 B:HIS118 3.0 27.6 1.0
CB B:CYS58 3.0 21.6 0.5
CG B:HIS118 3.1 22.7 1.0
CB B:CYS56 3.2 21.6 0.5
CB B:CYS116 3.3 16.2 1.0
CB B:HIS118 3.5 22.7 1.0
N B:HIS118 3.9 21.1 1.0
NE2 B:HIS118 4.1 26.9 1.0
CA B:CYS58 4.2 20.6 0.5
CD2 B:HIS118 4.2 25.4 1.0
N B:CYS58 4.2 22.7 0.5
CG B:GLN117 4.3 30.0 1.0
CA B:HIS118 4.3 21.1 1.0
CB B:ALA54 4.4 16.7 1.0
N B:GLN117 4.5 20.2 1.0
CA B:CYS116 4.5 15.4 1.0
O B:HOH458 4.6 30.9 1.0
CA B:CYS56 4.6 21.1 0.5
C B:CYS116 4.7 17.7 1.0
C B:GLN117 4.9 23.1 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: Sun Feb 9 00:41:24 2025

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