Chlorine in PDB 3fue: Leukotriene A4 Hydrolase in Complex with Fragment 5- Chloroindole and Bestatin

Enzymatic activity of Leukotriene A4 Hydrolase in Complex with Fragment 5- Chloroindole and Bestatin

All present enzymatic activity of Leukotriene A4 Hydrolase in Complex with Fragment 5- Chloroindole and Bestatin:
3.3.2.6;

Protein crystallography data

The structure of Leukotriene A4 Hydrolase in Complex with Fragment 5- Chloroindole and Bestatin, PDB code: 3fue was solved by D.R.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	50.00 / 2.38
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	78.084, 86.936, 99.111, 90.00, 90.00, 90.00
*R / R_free (%)*	19.1 / 25

Other elements in 3fue:

The structure of Leukotriene A4 Hydrolase in Complex with Fragment 5- Chloroindole and Bestatin also contains other interesting chemical elements:

Ytterbium	(Yb)	3 atoms
Zinc	(Zn)	1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Leukotriene A4 Hydrolase in Complex with Fragment 5- Chloroindole and Bestatin (pdb code 3fue). 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 Leukotriene A4 Hydrolase in Complex with Fragment 5- Chloroindole and Bestatin, PDB code: 3fue:

Chlorine binding site 1 out of 1 in 3fue

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Chlorine Binding Sites List in 3fue

Chlorine binding site 1 out of 1 in the Leukotriene A4 Hydrolase in Complex with Fragment 5- Chloroindole and Bestatin

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Leukotriene A4 Hydrolase in Complex with Fragment 5- Chloroindole and Bestatin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl710 b:43.3 occ:1.00	CL10	A:11S710	0.0	43.3	1.0
	C3	A:11S710	1.8	38.6	1.0
	C2	A:11S710	2.6	39.2	1.0
	C4	A:11S710	2.9	38.1	1.0
	CB	A:PRO374	3.3	17.4	1.0
	O	A:PRO374	3.8	15.6	1.0
	C1	A:11S710	4.0	37.8	1.0
	CA	A:PRO374	4.0	16.6	1.0
	C5	A:11S710	4.1	36.7	1.0
	C	A:PRO374	4.2	16.0	1.0
	CD2	A:PHE314	4.3	11.2	1.0
	CB	A:ALA137	4.4	5.9	1.0
	CE2	A:PHE314	4.5	11.2	1.0
	C6	A:11S710	4.6	36.7	1.0
	CB	A:TRP311	4.6	11.4	1.0
	CG	A:PHE314	4.6	9.5	1.0
	CG	A:PRO374	4.6	17.5	1.0
	CE3	A:TRP311	4.7	10.3	1.0
	CD1	A:LEU369	4.7	16.8	1.0
	CZ	A:PHE314	4.9	12.0	1.0
	CG	A:TRP311	4.9	10.6	1.0
	CD2	A:TRP311	4.9	8.9	1.0
	CD1	A:PHE314	4.9	10.1	1.0

Reference:

D.R.Davies, B.Mamat, O.T.Magnusson, J.Christensen, M.H.Haraldsson, R.Mishra, B.Pease, E.Hansen, J.Singh, D.Zembower, H.Kim, A.S.Kiselyov, A.B.Burgin, M.E.Gurney, L.J.Stewart. Discovery of Leukotriene A4 Hydrolase Inhibitors Using Metabolomics Biased Fragment Crystallography. J.Med.Chem. V. 52 4694 2009.
ISSN: ISSN 0022-2623
PubMed: 19618939
DOI: 10.1021/JM900259H

Page generated: Sat Jul 20 19:38:08 2024

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