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Zinc in PDB 7h3w: 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 Z1201620232 (A71EV2A-X0514)

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 Z1201620232 (A71EV2A-X0514)

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 Z1201620232 (A71EV2A-X0514):
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 Z1201620232 (A71EV2A-X0514), PDB code: 7h3w 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) 43.24 / 1.30
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 86.629, 56.969, 64.571, 90, 94.18, 90
R / Rfree (%) 20.6 / 23.7

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 Z1201620232 (A71EV2A-X0514) (pdb code 7h3w). 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 Z1201620232 (A71EV2A-X0514), PDB code: 7h3w:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 7h3w

Go back to Zinc Binding Sites List in 7h3w
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 Z1201620232 (A71EV2A-X0514)


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 Z1201620232 (A71EV2A-X0514) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn201

b:14.9
occ:1.00
 ND1 A:HIS118 2.0 14.4 1.0
SG A:CYS116 2.3 13.0 1.0
SG A:CYS58 2.3 15.7 1.0
SG A:CYS56 2.3 15.9 1.0
CE1 A:HIS118 3.0 19.1 1.0
CG A:HIS118 3.1 16.1 1.0
CB A:CYS58 3.1 15.4 1.0
CB A:CYS56 3.2 13.7 1.0
CB A:CYS116 3.3 12.4 1.0
CB A:HIS118 3.5 16.3 1.0
N A:HIS118 4.1 16.6 1.0
NE2 A:HIS118 4.1 19.2 1.0
CD2 A:HIS118 4.2 17.9 1.0
CA A:CYS58 4.3 15.0 1.0
N A:CYS58 4.3 15.7 1.0
CA A:HIS118 4.4 16.2 1.0
O A:HOH301 4.5 27.4 1.0
O A:HOH453 4.5 24.6 1.0
CB A:ALA54 4.6 14.4 1.0
CA A:CYS116 4.6 14.8 1.0
N A:GLN117 4.6 17.8 1.0
CA A:CYS56 4.7 13.6 1.0
CG A:GLN117 4.8 22.7 1.0
C A:CYS116 4.8 15.8 1.0
O A:HOH372 4.9 25.6 1.0

Zinc binding site 2 out of 2 in 7h3w

Go back to Zinc Binding Sites List in 7h3w
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 Z1201620232 (A71EV2A-X0514)


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 Z1201620232 (A71EV2A-X0514) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn202

b:17.5
occ:1.00
 ND1 B:HIS118 2.0 20.6 1.0
SG B:CYS116 2.2 16.1 1.0
SG B:CYS58 2.3 19.1 1.0
SG B:CYS56 2.4 17.0 1.0
CE1 B:HIS118 2.9 25.9 1.0
CG B:HIS118 3.1 21.6 1.0
CB B:CYS58 3.1 19.2 1.0
CB B:CYS56 3.3 17.8 1.0
CB B:CYS116 3.3 13.7 1.0
CB B:HIS118 3.5 17.8 1.0
N B:HIS118 4.0 18.5 1.0
NE2 B:HIS118 4.0 26.0 1.0
CD2 B:HIS118 4.1 24.8 1.0
CG B:GLN117 4.2 26.8 1.0
CA B:CYS58 4.2 18.9 1.0
N B:CYS58 4.3 21.6 1.0
CA B:HIS118 4.4 19.9 1.0
O B:HOH467 4.4 33.7 1.0
CB B:ALA54 4.5 13.9 1.0
N B:GLN117 4.5 19.5 1.0
CA B:CYS116 4.6 15.1 1.0
C B:CYS116 4.7 16.5 1.0
CA B:CYS56 4.7 16.5 1.0
C B:GLN117 5.0 21.0 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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