Chlorine in PDB 5t36: Crystal Structure of Mpges-1 Bound to Inhibitor

All present enzymatic activity of Crystal Structure of Mpges-1 Bound to Inhibitor:
5.3.99.3;

The structure of Crystal Structure of Mpges-1 Bound to Inhibitor, PDB code: 5t36 was solved by J.G.Luz, S.Antonysamy, K.Partridge, M.Fisher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.51 / 1.40
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	77.009, 77.009, 123.240, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 19.5

The binding sites of Chlorine atom in the Crystal Structure of Mpges-1 Bound to Inhibitor (pdb code 5t36). 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 Mpges-1 Bound to Inhibitor, PDB code: 5t36:

Chlorine binding site 1 out of 1 in the Crystal Structure of Mpges-1 Bound to Inhibitor


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 Mpges-1 Bound to Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:23.4 occ:1.00 CL A:755201 0.0 23.4 1.0 C13 A:755201 1.7 20.8 1.0 C12 A:755201 2.7 21.4 1.0 C14 A:755201 2.7 20.7 1.0 OG1 A:THR131 3.2 13.9 1.0 O A:SER127 3.8 11.8 1.0 CB A:THR131 3.8 12.4 1.0 CA A:VAL128 4.0 11.5 1.0 C15 A:755201 4.0 21.9 1.0 C11 A:755201 4.0 21.5 1.0 C A:SER127 4.0 11.7 1.0 O A:HOH376 4.1 47.8 1.0 CG2 A:VAL128 4.1 14.3 1.0 N A:VAL128 4.1 11.3 1.0 CG2 A:THR131 4.2 14.5 1.0 C16 A:755201 4.5 22.3 1.0 CB A:SER127 4.6 12.6 1.0 CB A:VAL128 4.7 12.0 1.0 C7 A:755201 4.9 20.9 1.0 CA A:SER127 5.0 11.2 1.0

K.M.Partridge, S.Antonysamy, S.N.Bhattachar, S.Chandrasekhar, M.J.Fisher, A.Fretland, K.Gooding, A.Harvey, N.E.Hughes, S.L.Kuklish, J.G.Luz, P.R.Manninen, J.E.Mcgee, D.R.Mudra, A.Navarro, B.H.Norman, S.J.Quimby, M.A.Schiffler, A.V.Sloan, A.M.Warshawsky, J.M.Weller, J.S.York, X.P.Yu. Discovery and Characterization of [(Cyclopentyl)Ethyl]Benzoic Acid Inhibitors of Microsomal Prostaglandin E Synthase-1. Bioorg. Med. Chem. Lett. V. 27 1478 2017.
ISSN: ESSN 1464-3405
PubMed: 28190634
DOI: 10.1016/J.BMCL.2016.11.011