Chlorine in PDB 4oj4: Crystal Structure of V290M Ppargamma Mutant in Complex with Diclofenac

The structure of Crystal Structure of V290M Ppargamma Mutant in Complex with Diclofenac, PDB code: 4oj4 was solved by A.C.Puhl, P.Webb, I.Polikarpov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.19 / 2.30
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	60.040, 60.040, 161.190, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 28.4

The structure of Crystal Structure of V290M Ppargamma Mutant in Complex with Diclofenac also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of V290M Ppargamma Mutant in Complex with Diclofenac (pdb code 4oj4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of V290M Ppargamma Mutant in Complex with Diclofenac, PDB code: 4oj4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of V290M Ppargamma Mutant in Complex with Diclofenac


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 V290M Ppargamma Mutant in Complex with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:66.7 occ:0.80 CL2 A:DIF501 0.0 66.7 0.8 C2 A:DIF501 1.8 61.8 1.0 C1 A:DIF501 2.7 65.7 1.0 C3 A:DIF501 2.9 59.4 1.0 N1 A:DIF501 3.3 54.5 1.0 O2 A:DIF501 3.7 42.2 1.0 C6 A:DIF501 4.0 64.2 1.0 C A:GLY284 4.1 39.3 1.0 O A:GLY284 4.2 39.2 1.0 C4 A:DIF501 4.2 62.5 1.0 CG2 A:ILE341 4.2 43.0 1.0 C8 A:DIF501 4.2 46.5 1.0 CB A:ILE341 4.3 43.3 1.0 N A:CYS285 4.4 41.7 1.0 CA A:GLY284 4.5 37.9 1.0 C5 A:DIF501 4.6 63.4 1.0 CA A:CYS285 4.6 40.2 1.0 CD1 A:ILE341 4.6 50.7 1.0 CB A:ARG288 4.7 37.8 1.0 C14 A:DIF501 4.8 44.8 1.0 C9 A:DIF501 4.8 49.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of V290M Ppargamma Mutant in Complex with Diclofenac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of V290M Ppargamma Mutant in Complex with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:63.0 occ:0.80 CL4 A:DIF501 0.0 63.0 0.8 C4 A:DIF501 1.8 62.5 1.0 C5 A:DIF501 2.7 63.4 1.0 C3 A:DIF501 2.8 59.4 1.0 N1 A:DIF501 3.0 54.5 1.0 C8 A:DIF501 3.2 46.5 1.0 C9 A:DIF501 3.3 49.4 1.0 CD1 A:LEU330 3.7 46.2 1.0 CE A:MET364 3.7 51.4 1.0 CG2 A:VAL339 3.9 34.2 1.0 C6 A:DIF501 4.0 64.2 1.0 C2 A:DIF501 4.1 61.8 1.0 CD2 A:LEU330 4.2 48.7 1.0 C7 A:DIF501 4.2 48.2 1.0 C10 A:DIF501 4.2 50.0 1.0 CG A:LEU330 4.3 46.3 1.0 SD A:MET364 4.4 49.6 1.0 CG1 A:VAL339 4.4 31.9 1.0 C1 A:DIF501 4.6 65.7 1.0 SG A:CYS285 4.7 50.0 1.0 CG2 A:ILE341 4.7 43.0 1.0 CB A:VAL339 4.8 34.5 1.0 C13 A:DIF501 5.0 47.2 1.0

A.C.Puhl, A.Bernardes, I.Polikarpov, P.Webb. Crystal Structure of A Ppar Ligand-Resistance Syndrome Mutant To Be Published.