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Fluorine in PDB 7hog: 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 Z1216861874 (A71EV2A-X0525)

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 Z1216861874 (A71EV2A-X0525)

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 Z1216861874 (A71EV2A-X0525):
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 Z1216861874 (A71EV2A-X0525), PDB code: 7hog 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) 47.20 / 1.19
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 86.088, 56.539, 32.421, 90, 95.26, 90
R / Rfree (%) 17 / 18.7

Other elements in 7hog:

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 Z1216861874 (A71EV2A-X0525) also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine 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 Z1216861874 (A71EV2A-X0525) (pdb code 7hog). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine 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 Z1216861874 (A71EV2A-X0525), PDB code: 7hog:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 7hog

Go back to Fluorine Binding Sites List in 7hog
Fluorine 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 Z1216861874 (A71EV2A-X0525)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F 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 Z1216861874 (A71EV2A-X0525) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:29.4
occ:0.52
 F A:YYI201 0.0 29.4 0.5
C A:YYI201 1.3 27.0 0.5
O A:YYI201 2.2 25.5 0.5
F1 A:YYI201 2.2 26.9 0.5
C1 A:YYI201 2.6 20.9 0.5
C2 A:YYI201 3.2 20.0 0.5
C5 A:YYI201 3.5 20.3 0.5
C3 A:YYI201 4.4 20.0 0.5
N A:YYI201 4.6 18.9 0.5

Fluorine binding site 2 out of 2 in 7hog

Go back to Fluorine Binding Sites List in 7hog
Fluorine 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 Z1216861874 (A71EV2A-X0525)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F 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 Z1216861874 (A71EV2A-X0525) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:26.9
occ:0.52
 F1 A:YYI201 0.0 26.9 0.5
C A:YYI201 1.4 27.0 0.5
F A:YYI201 2.2 29.4 0.5
O A:YYI201 2.3 25.5 0.5
C1 A:YYI201 2.9 20.9 0.5
C5 A:YYI201 3.1 20.3 0.5
O A:TYR89 3.5 16.5 1.0
C A:TYR89 3.7 15.9 1.0
O A:GLU88 3.7 20.0 1.0
O A:HOH345 3.8 18.4 1.0
CA A:TYR89 3.8 15.1 1.0
C2 A:YYI201 4.2 20.0 0.5
N A:YYI201 4.3 18.9 0.5
N A:TYR90 4.4 16.4 1.0
O A:HOH323 4.4 36.6 1.0
O A:HOH450 4.5 38.8 1.0
C A:GLU88 4.5 19.1 1.0
N A:TYR89 4.6 16.0 1.0
CA A:TYR90 4.9 15.4 1.0
CB A:TYR89 4.9 14.7 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: Sat Feb 8 18:12:04 2025

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