Fluorine in PDB 5lz4: Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2

Enzymatic activity of Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2

All present enzymatic activity of Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2:
3.1.1.47;

Protein crystallography data

The structure of Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2, PDB code: 5lz4 was solved by A.Woolford, P.Day, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	45.47 / 2.07
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	99.935, 90.948, 51.340, 90.00, 111.86, 90.00
*R / R_free (%)*	16.1 / 21.5

Other elements in 5lz4:

The structure of Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2 (pdb code 5lz4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2, PDB code: 5lz4:

Fluorine binding site 1 out of 1 in 5lz4

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Fluorine Binding Sites List in 5lz4

Fluorine binding site 1 out of 1 in the Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F503 b:16.4 occ:0.91	F13	A:7BW503	0.0	16.4	0.9
	C12	A:7BW503	1.4	17.2	0.9
	C11	A:7BW503	2.4	15.6	0.9
	C14	A:7BW503	2.4	17.2	0.9
	H34	A:7BW503	2.5	15.8	0.9
	C15	A:7BW503	2.8	14.9	0.9
	CD1	A:LEU159	3.2	18.7	1.0
	CD2	A:LEU107	3.4	24.7	1.0
	N16	A:7BW503	3.5	14.2	0.9
	C10	A:7BW503	3.6	15.2	0.9
	C17	A:7BW503	3.6	15.4	0.9
	CD2	A:PHE357	3.9	20.5	1.0
	C9	A:7BW503	4.1	17.2	0.9
	CE2	A:PHE357	4.2	21.0	1.0
	O	A:GLY154	4.2	22.0	1.0
	H33	A:7BW503	4.4	15.7	0.9
	H35	A:7BW503	4.4	16.2	0.9
	CA	A:ALA155	4.5	18.0	1.0
	O	A:HOH937	4.5	34.1	1.0
	CG	A:LEU159	4.6	18.0	1.0
	O	A:HOH981	4.6	32.7	1.0
	CB	A:ALA155	4.7	17.2	1.0
	CG	A:LEU107	4.7	23.3	1.0
	CD1	A:LEU107	4.8	23.1	1.0
	C	A:GLY154	4.9	19.9	1.0
	CG	A:PHE357	5.0	20.5	1.0
	CD2	A:LEU159	5.0	19.0	1.0
	N	A:ALA155	5.0	18.9	1.0

Reference:

A.J.Woolford, P.J.Day, V.Beneton, V.Berdini, J.E.Coyle, Y.Dudit, P.Grondin, P.Huet, L.Y.Lee, E.S.Manas, R.L.Mcmenamin, C.W.Murray, L.W.Page, V.K.Patel, F.Potvain, S.J.Rich, Y.Sang, D.O.Somers, L.Trottet, Z.Wan, X.Zhang. Fragment-Based Approach to the Development of An Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem. V. 59 10738 2016.
ISSN: ISSN 1520-4804
PubMed: 27933945
DOI: 10.1021/ACS.JMEDCHEM.6B01427

Page generated: Thu Aug 1 11:34:05 2024

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