Bromine in PDB 7h53: 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 Ncl-00024387 (A71EV2A-X1255)

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 Ncl-00024387 (A71EV2A-X1255)

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 Ncl-00024387 (A71EV2A-X1255):
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 Ncl-00024387 (A71EV2A-X1255), PDB code: 7h53 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)*	64.30 / 1.12
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	86.175, 56.564, 64.526, 90, 94.75, 90
*R / R_free (%)*	18.3 / 20.6

Other elements in 7h53:

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 Ncl-00024387 (A71EV2A-X1255) (pdb code 7h53). 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 Ncl-00024387 (A71EV2A-X1255), PDB code: 7h53:

Bromine binding site 1 out of 1 in 7h53

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Bromine Binding Sites List in 7h53

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 Ncl-00024387 (A71EV2A-X1255)

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 Ncl-00024387 (A71EV2A-X1255) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Br202 b:37.2 occ:0.50	BR1	B:V3U202	0.0	37.2	0.5
	C6	B:V3U202	1.9	37.2	0.5
	C7	B:V3U202	2.8	36.8	0.5
	C5	B:V3U202	2.8	36.9	0.5
	O	B:GLU106	3.3	14.1	0.5
	C	B:THR126	3.6	16.0	0.5
	N	B:GLY127	3.6	15.6	1.0
	SG	B:CYS110	3.7	11.1	0.5
	C	B:GLU106	3.7	15.2	0.5
	O	B:THR126	3.8	14.6	0.5
	CA	B:PRO107	3.9	13.7	0.5
	CA	B:GLY127	4.0	17.6	1.0
	CA	B:THR126	4.0	16.2	0.5
	O	B:HOH370	4.0	39.0	1.0
	N	B:PRO107	4.1	14.4	0.5
	C4	B:V3U202	4.1	37.8	0.5
	C8	B:V3U202	4.2	38.3	0.5
	CG1	B:VAL124	4.2	10.7	1.0
	N	B:THR126	4.2	15.0	0.5
	O	B:PRO107	4.3	13.0	0.5
	OG	B:SER105	4.3	17.2	0.5
	CB	B:SER105	4.3	16.1	0.5
	C	B:PRO107	4.5	13.1	0.5
	N	B:GLU106	4.5	15.1	0.5
	C	B:SER125	4.6	12.6	1.0
	O	B:SER125	4.6	14.2	1.0
	O	B:HOH485	4.6	24.0	1.0
	CA	B:GLU106	4.6	15.4	0.5
	N	B:CYS110	4.6	10.1	0.5
	N1	B:V3U202	4.6	38.6	0.5
	O	B:HOH302	4.8	21.6	1.0
	C	B:SER105	4.8	15.8	0.5
	CB	B:CYS110	5.0	10.2	0.5

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 03:58:20 2024

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