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Bromine in PDB 7h52: 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 Z1203730981 (A71EV2A-X1209)

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 Z1203730981 (A71EV2A-X1209)

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 Z1203730981 (A71EV2A-X1209):
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 Z1203730981 (A71EV2A-X1209), PDB code: 7h52 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) 38.91 / 1.21
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 86.03, 56.565, 64.424, 90, 94.69, 90
R / Rfree (%) 18.1 / 20.8

Other elements in 7h52:

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 Z1203730981 (A71EV2A-X1209) also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine 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 Z1203730981 (A71EV2A-X1209) (pdb code 7h52). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine 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 Z1203730981 (A71EV2A-X1209), PDB code: 7h52:

Bromine binding site 1 out of 1 in 7h52

Go back to Bromine Binding Sites List in 7h52
Bromine 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 Z1203730981 (A71EV2A-X1209)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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 Z1203730981 (A71EV2A-X1209) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br201

b:25.3
occ:0.70
 BR01 B:ZCI201 0.0 25.3 0.7
C02 B:ZCI201 1.9 21.3 0.7
N03 B:ZCI201 2.9 21.5 0.7
N06 B:ZCI201 2.9 20.1 0.7
O B:GLU106 3.4 14.5 1.0
C B:THR126 3.4 16.4 1.0
O B:THR126 3.4 15.0 1.0
N B:GLY127 3.6 16.8 1.0
SG B:CYS110 3.7 14.8 1.0
OG B:SER105 3.9 13.9 0.7
CG1 B:VAL124 3.9 11.3 1.0
CA B:THR126 4.0 15.8 1.0
C04 B:ZCI201 4.0 20.2 0.7
C B:GLU106 4.0 15.5 1.0
C05 B:ZCI201 4.0 20.7 0.7
CB B:SER105 4.1 14.1 0.7
N B:THR126 4.1 14.9 1.0
CA B:GLY127 4.1 19.1 1.0
CA B:PRO107 4.2 15.6 1.0
O B:HOH395 4.3 34.5 1.0
O B:PRO107 4.3 16.5 1.0
N B:PRO107 4.4 16.2 1.0
C B:SER125 4.4 13.3 1.0
N B:CYS110 4.6 12.1 1.0
O B:SER125 4.6 15.0 1.0
C B:PRO107 4.6 17.9 1.0
N B:GLU106 4.6 14.3 1.0
CA B:GLU106 4.9 15.7 1.0
O B:HOH484 4.9 36.8 1.0
O B:HOH457 4.9 25.4 1.0
CB B:ASP109 5.0 12.9 1.0
CB B:CYS110 5.0 12.7 1.0
C B:SER105 5.0 14.5 0.7
CA B:CYS110 5.0 13.4 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: Thu Jul 11 03:58:17 2024

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