Chlorine in PDB 5kxa: Selective Inhibition of Autotaxin Is Effective in Mouse Models of Liver Fibrosis

Enzymatic activity of Selective Inhibition of Autotaxin Is Effective in Mouse Models of Liver Fibrosis

All present enzymatic activity of Selective Inhibition of Autotaxin Is Effective in Mouse Models of Liver Fibrosis:
3.1.4.39;

Protein crystallography data

The structure of Selective Inhibition of Autotaxin Is Effective in Mouse Models of Liver Fibrosis, PDB code: 5kxa was solved by A.J.Stein, G.Bain, J.H.Hutchinson, J.F.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	65.84 / 2.59
*Space group*	P 1
*Cell size a, b, c (Å), α, β, γ (°)*	55.100, 55.506, 70.075, 71.56, 79.75, 81.09
*R / R_free (%)*	17.3 / 24.7

Other elements in 5kxa:

The structure of Selective Inhibition of Autotaxin Is Effective in Mouse Models of Liver Fibrosis also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Zinc	(Zn)	2 atoms
Calcium	(Ca)	1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Selective Inhibition of Autotaxin Is Effective in Mouse Models of Liver Fibrosis (pdb code 5kxa). 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 Selective Inhibition of Autotaxin Is Effective in Mouse Models of Liver Fibrosis, PDB code: 5kxa:

Chlorine binding site 1 out of 1 in 5kxa

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Chlorine Binding Sites List in 5kxa

Chlorine binding site 1 out of 1 in the Selective Inhibition of Autotaxin Is Effective in Mouse Models of Liver Fibrosis

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Selective Inhibition of Autotaxin Is Effective in Mouse Models of Liver Fibrosis within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl905 b:51.3 occ:1.00	CL	A:6Y7905	0.0	51.3	1.0
	C22	A:6Y7905	1.8	42.8	1.0
	C	A:6Y7905	2.8	39.7	1.0
	C21	A:6Y7905	2.8	46.4	1.0
	F	A:6Y7905	2.9	39.5	1.0
	O	A:LEU214	3.3	41.6	1.0
	C	A:LEU214	3.5	40.5	1.0
	CB	A:LEU214	3.6	42.1	1.0
	N	A:TYR215	3.7	42.2	1.0
	CA	A:TYR215	3.8	43.6	1.0
	CD1	A:TYR215	4.0	50.2	1.0
	C20	A:6Y7905	4.1	45.4	1.0
	CH2	A:TRP261	4.1	49.9	1.0
	C1	A:6Y7905	4.1	39.3	1.0
	CA	A:LEU214	4.2	40.6	1.0
	CB	A:ALA218	4.3	49.7	1.0
	CB	A:TYR215	4.3	43.5	1.0
	CZ	A:PHE275	4.4	47.8	1.0
	C19	A:6Y7905	4.6	44.4	1.0
	CZ3	A:TRP261	4.6	49.1	1.0
	CG	A:TYR215	4.6	47.8	1.0
	CE1	A:PHE275	4.8	48.6	1.0
	CZ3	A:TRP255	4.8	51.4	1.0
	CE1	A:TYR215	5.0	49.3	1.0

Reference:

G.Bain, K.E.Shannon, F.Huang, J.Darlington, L.Goulet, P.Prodanovich, G.L.Ma, A.M.Santini, A.J.Stein, D.Lonergan, C.D.King, I.Calderon, A.Lai, J.H.Hutchinson, J.F.Evans. Selective Inhibition of Autotaxin Is Efficacious in Mouse Models of Liver Fibrosis. J. Pharmacol. Exp. Ther. V. 360 1 2017.
ISSN: ESSN 1521-0103
PubMed: 27754931
DOI: 10.1124/JPET.116.237156

Page generated: Sat Jul 12 04:15:15 2025

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