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Chlorine in PDB 5bqh: Discovery of A Potent and Selective Mpges-1 Inhibitor For the Treatment of Pain

Enzymatic activity of Discovery of A Potent and Selective Mpges-1 Inhibitor For the Treatment of Pain

All present enzymatic activity of Discovery of A Potent and Selective Mpges-1 Inhibitor For the Treatment of Pain:
5.3.99.3;

Protein crystallography data

The structure of Discovery of A Potent and Selective Mpges-1 Inhibitor For the Treatment of Pain, PDB code: 5bqh was solved by M.J.Fisher, M.A.Schiffler, S.L.Kuklish, S.Antonysamy, J.G.Luz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.60
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 76.464, 76.464, 123.770, 90.00, 90.00, 120.00
R / Rfree (%) 14.5 / 16.5

Other elements in 5bqh:

The structure of Discovery of A Potent and Selective Mpges-1 Inhibitor For the Treatment of Pain also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Discovery of A Potent and Selective Mpges-1 Inhibitor For the Treatment of Pain (pdb code 5bqh). 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 Discovery of A Potent and Selective Mpges-1 Inhibitor For the Treatment of Pain, PDB code: 5bqh:

Chlorine binding site 1 out of 1 in 5bqh

Go back to Chlorine Binding Sites List in 5bqh
Chlorine binding site 1 out of 1 in the Discovery of A Potent and Selective Mpges-1 Inhibitor For the Treatment of Pain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Discovery of A Potent and Selective Mpges-1 Inhibitor For the Treatment of Pain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:86.0
occ:1.00
CL A:4UK201 0.0 86.0 1.0
C6 A:4UK201 1.7 56.8 1.0
C7 A:4UK201 2.7 40.9 1.0
C5 A:4UK201 2.7 54.3 1.0
C8 A:4UK201 4.0 38.4 1.0
C4 A:4UK201 4.0 51.8 1.0
CD2 A:LEU132 4.3 29.4 0.5
C3 A:4UK201 4.5 38.1 1.0

Reference:

M.A.Schiffler, S.Antonysamy, S.N.Bhattachar, K.M.Campanale, S.Chandrasekhar, B.Condon, P.V.Desai, M.J.Fisher, C.Groshong, A.Harvey, M.J.Hickey, N.E.Hughes, S.A.Jones, E.J.Kim, S.L.Kuklish, J.G.Luz, B.H.Norman, R.E.Rathmell, J.R.Rizzo, T.W.Seng, S.J.Thibodeaux, T.A.Woods, J.S.York, X.P.Yu. Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem. V. 59 194 2016.
ISSN: ISSN 0022-2623
PubMed: 26653180
DOI: 10.1021/ACS.JMEDCHEM.5B01249
Page generated: Fri Jul 26 05:38:35 2024

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