Chlorine in PDB 5cqj: Crystal Structure of E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Clomiphene

Enzymatic activity of Crystal Structure of E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Clomiphene

All present enzymatic activity of Crystal Structure of E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Clomiphene:
2.5.1.31;

Protein crystallography data

The structure of Crystal Structure of E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Clomiphene, PDB code: 5cqj was solved by L.J.Worrall, D.G.Conrady, N.C.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	26.51 / 2.15
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	63.312, 68.488, 111.630, 90.00, 90.00, 90.00
*R / R_free (%)*	18.3 / 24.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Clomiphene (pdb code 5cqj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Clomiphene, PDB code: 5cqj:

Chlorine binding site 1 out of 1 in 5cqj

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Chlorine Binding Sites List in 5cqj

Chlorine binding site 1 out of 1 in the Crystal Structure of E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Clomiphene

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Clomiphene within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl301 b:64.3 occ:0.84	CL	A:53Q301	0.0	64.3	0.8
	C13	A:53Q301	1.7	59.5	0.8
	C14	A:53Q301	2.6	54.0	0.8
	C12	A:53Q301	2.7	58.9	0.8
	C21	A:53Q301	3.0	48.0	0.8
	C20	A:53Q301	3.1	51.1	0.8
	C15	A:53Q301	3.4	48.1	0.8
	C19	A:53Q301	3.4	49.5	0.8
	C22	A:53Q301	4.1	47.8	0.8
	C9	A:53Q301	4.1	64.2	0.8
	CG2	A:ILE141	4.2	21.3	1.0
	C25	A:53Q301	4.3	46.8	0.8
	CE	A:MET25	4.4	18.1	1.0
	CD1	A:ILE141	4.5	22.4	1.0
	C16	A:53Q301	4.6	43.8	0.8
	C18	A:53Q301	4.6	48.8	0.8
	CG2	A:VAL50	4.6	20.1	1.0
	C8	A:53Q301	4.7	64.7	0.8
	CB	A:ALA69	4.8	60.8	1.0

Reference:

M.A.Farha, T.L.Czarny, C.L.Myers, L.J.Worrall, S.French, D.G.Conrady, Y.Wang, E.Oldfield, N.C.Strynadka, E.D.Brown. Antagonism Screen For Inhibitors of Bacterial Cell Wall Biogenesis Uncovers An Inhibitor of Undecaprenyl Diphosphate Synthase. Proc.Natl.Acad.Sci.Usa V. 112 11048 2015.
ISSN: ESSN 1091-6490
PubMed: 26283394
DOI: 10.1073/PNAS.1511751112

Page generated: Sat Dec 12 11:35:44 2020

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