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Chlorine in PDB 4yk5: Crystal Structures of Mpges-1 Inhibitor Complexes

Enzymatic activity of Crystal Structures of Mpges-1 Inhibitor Complexes

All present enzymatic activity of Crystal Structures of Mpges-1 Inhibitor Complexes:
5.3.99.3;

Protein crystallography data

The structure of Crystal Structures of Mpges-1 Inhibitor Complexes, PDB code: 4yk5 was solved by J.G.Luz, S.Antonysamy, S.L.Kuklish, M.J.Fisher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.42
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 76.600, 76.600, 123.736, 90.00, 90.00, 120.00
R / Rfree (%) 16 / 16.8

Other elements in 4yk5:

The structure of Crystal Structures of Mpges-1 Inhibitor Complexes also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structures of Mpges-1 Inhibitor Complexes (pdb code 4yk5). 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 Structures of Mpges-1 Inhibitor Complexes, PDB code: 4yk5:

Chlorine binding site 1 out of 1 in 4yk5

Go back to Chlorine Binding Sites List in 4yk5
Chlorine binding site 1 out of 1 in the Crystal Structures of Mpges-1 Inhibitor Complexes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structures of Mpges-1 Inhibitor Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:28.5
occ:1.00
CL1 A:4DV201 0.0 28.5 1.0
C32 A:4DV201 1.7 23.5 1.0
C31 A:4DV201 2.7 24.6 1.0
C33 A:4DV201 2.7 35.6 1.0
O A:HOH313 3.1 18.2 1.0
O A:HOH349 3.6 22.3 1.0
SG2 A:GSH203 4.0 13.7 1.0
C30 A:4DV201 4.0 28.2 1.0
C34 A:4DV201 4.0 31.6 1.0
C29 A:4DV201 4.5 23.7 1.0
NH2 A:ARG126 4.7 13.0 1.0

Reference:

J.G.Luz, S.Antonysamy, S.L.Kuklish, B.Condon, M.R.Lee, D.Allison, X.P.Yu, S.Chandrasekhar, R.Backer, A.Zhang, M.Russell, S.S.Chang, A.Harvey, A.V.Sloan, M.J.Fisher. Crystal Structures of Mpges-1 Inhibitor Complexes Form A Basis For the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem. V. 58 4727 2015.
ISSN: ISSN 0022-2623
PubMed: 25961169
DOI: 10.1021/ACS.JMEDCHEM.5B00330
Page generated: Fri Jul 26 04:08:29 2024

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