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Fluorine in PDB 7h3o: 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 Z100642432 (A71EV2A-X0450)

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 Z100642432 (A71EV2A-X0450)

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 Z100642432 (A71EV2A-X0450):
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 Z100642432 (A71EV2A-X0450), PDB code: 7h3o 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) 46.71 / 1.61
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 72.761, 60.984, 32.406, 90, 93.03, 90
R / Rfree (%) 22.6 / 28

Other elements in 7h3o:

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 Z100642432 (A71EV2A-X0450) also contains other interesting chemical elements:

Bromine (Br) 1 atom
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 Z100642432 (A71EV2A-X0450) (pdb code 7h3o). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine 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 Z100642432 (A71EV2A-X0450), PDB code: 7h3o:

Fluorine binding site 1 out of 1 in 7h3o

Go back to Fluorine Binding Sites List in 7h3o
Fluorine 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 Z100642432 (A71EV2A-X0450)


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 Z100642432 (A71EV2A-X0450) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:49.5
occ:0.64
 F A:WJ7201 0.0 49.5 0.6
C6 A:WJ7201 1.4 61.6 0.6
C5 A:WJ7201 2.3 63.0 0.6
C7 A:WJ7201 2.4 67.2 0.6
O A:GLU106 3.1 25.3 1.0
OG A:SER105 3.4 25.5 1.0
C A:THR126 3.5 21.0 1.0
SG A:CYS110 3.5 20.2 1.0
C A:GLU106 3.6 26.9 1.0
N A:GLY127 3.6 24.6 1.0
C4 A:WJ7201 3.6 65.2 0.6
C8 A:WJ7201 3.6 73.5 0.6
CA A:PRO107 3.7 28.4 1.0
O A:THR126 3.7 22.1 1.0
CA A:THR126 3.8 23.2 1.0
N A:PRO107 3.9 26.8 1.0
N A:THR126 4.0 20.9 1.0
C3 A:WJ7201 4.1 70.3 0.6
O A:SER125 4.1 21.8 1.0
O A:PRO107 4.2 29.4 1.0
C A:SER125 4.2 21.1 1.0
CA A:GLY127 4.3 27.7 1.0
O A:HOH373 4.3 28.8 0.6
C A:PRO107 4.3 25.3 1.0
CG1 A:VAL124 4.4 17.1 1.0
CA A:GLU106 4.5 26.8 1.0
N A:GLU106 4.6 24.8 1.0
CB A:SER105 4.6 20.7 1.0
C A:SER105 4.7 25.1 1.0
N A:CYS110 4.7 18.6 1.0
O A:SER105 4.9 29.7 1.0
CB A:CYS110 4.9 18.4 1.0
CB A:PRO107 4.9 27.7 1.0
CD A:PRO107 5.0 26.7 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: Fri Aug 2 07:47:24 2024

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