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Chlorine in PDB 5lz7: 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: 5lz7 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) 32.99 / 2.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 99.623, 91.456, 51.413, 90.00, 112.11, 90.00
R / Rfree (%) 18 / 24.3

Other elements in 5lz7:

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

Fluorine (F) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2 (pdb code 5lz7). 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 Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2, PDB code: 5lz7:

Chlorine binding site 1 out of 1 in 5lz7

Go back to Chlorine Binding Sites List in 5lz7
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl501

b:37.5
occ:1.00
 N A:ALA326 3.2 44.0 1.0
CB A:ALA326 3.6 42.9 1.0
CD A:PRO325 3.6 50.7 1.0
CB A:PRO325 3.8 50.1 1.0
N A:PRO325 3.8 46.7 1.0
CD1 A:TYR324 3.9 44.7 1.0
CA A:ALA326 4.0 43.3 1.0
CG A:PRO325 4.1 51.6 1.0
C A:PRO325 4.1 45.9 1.0
CA A:PRO325 4.1 45.9 1.0
CB A:TYR324 4.1 43.6 1.0
C A:TYR324 4.4 44.1 1.0
CG A:TYR324 4.5 42.9 1.0
CA A:TYR324 4.9 43.9 1.0
CE1 A:TYR324 4.9 43.6 1.0
O A:TYR324 5.0 42.0 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: Fri Jul 26 12:21:02 2024

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