Chlorine in PDB 6t6b: Crystal Structure of Ppargamma in Complex with Compound 16 (MF27)

The structure of Crystal Structure of Ppargamma in Complex with Compound 16 (MF27), PDB code: 6t6b was solved by A.Chaikuad, X.Ni, T.Hanke, C.H.Arrowsmith, A.M.Edwards, C.Bountra, D.Merk, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.22 / 2.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.542, 62.542, 166.861, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 27.1

The binding sites of Chlorine atom in the Crystal Structure of Ppargamma in Complex with Compound 16 (MF27) (pdb code 6t6b). 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 Ppargamma in Complex with Compound 16 (MF27), PDB code: 6t6b:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Ppargamma in Complex with Compound 16 (MF27)


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 Ppargamma in Complex with Compound 16 (MF27) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:82.8 occ:1.00 CL1 A:MLQ501 0.0 82.8 1.0 C19 A:MLQ501 1.7 79.7 1.0 C20 A:MLQ501 2.7 81.3 1.0 C3 A:MLQ501 2.7 77.1 1.0 N A:MLQ501 3.0 71.4 1.0 S A:MLQ501 3.3 72.8 1.0 O A:MLQ501 3.4 75.1 1.0 CE1 A:HIS449 3.7 78.5 1.0 C4 A:MLQ501 3.8 70.3 1.0 C A:MLQ501 4.0 81.8 1.0 NE2 A:GLN286 4.0 94.1 1.0 CB A:CYS285 4.0 74.8 1.0 C2 A:MLQ501 4.0 78.3 1.0 NE2 A:HIS449 4.2 78.7 1.0 CD1 A:PHE363 4.4 72.2 1.0 C5 A:MLQ501 4.4 71.1 1.0 C18 A:MLQ501 4.5 70.3 1.0 C1 A:MLQ501 4.5 80.3 1.0 O3 A:MLQ501 4.6 72.4 1.0 CE2 A:PHE282 4.6 92.2 1.0 OH A:TYR327 4.7 72.9 1.0 CG A:PHE363 4.7 71.8 1.0 CD2 A:PHE282 4.8 90.5 1.0 ND1 A:HIS449 4.8 77.2 1.0 CE1 A:PHE363 4.8 74.8 1.0 SG A:CYS285 4.9 72.0 1.0 CB A:PHE363 4.9 68.9 1.0 CD A:GLN286 4.9 96.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Ppargamma in Complex with Compound 16 (MF27)


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 Ppargamma in Complex with Compound 16 (MF27) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:88.3 occ:1.00 CL A:MLQ501 0.0 88.3 1.0 C A:MLQ501 1.7 81.8 1.0 C20 A:MLQ501 2.7 81.3 1.0 C1 A:MLQ501 2.7 80.3 1.0 CA A:PHE282 3.5 83.4 1.0 N A:PHE282 3.7 81.5 1.0 CB A:PHE282 3.7 87.0 1.0 C19 A:MLQ501 4.0 79.7 1.0 C2 A:MLQ501 4.0 78.3 1.0 CG2 A:ILE281 4.0 76.7 1.0 O A:ALA278 4.0 80.6 1.0 O A:PHE360 4.1 71.3 1.0 CD2 A:PHE282 4.1 90.5 1.0 C A:ILE281 4.2 79.9 1.0 CD1 A:LEU356 4.3 68.1 1.0 CG A:PHE282 4.4 89.8 1.0 CB A:PHE360 4.4 77.6 1.0 CD1 A:PHE360 4.5 80.7 1.0 C3 A:MLQ501 4.5 77.1 1.0 CD2 A:PHE363 4.5 73.9 1.0 O A:ILE281 4.6 79.2 1.0 CB A:ILE281 4.7 78.8 1.0 SG A:CYS285 4.7 72.0 1.0 CB A:PHE363 4.9 68.9 1.0 CG A:PHE360 4.9 80.7 1.0 C A:PHE360 4.9 73.5 1.0 C A:PHE282 5.0 85.3 1.0 CG A:PHE363 5.0 71.8 1.0 CA A:PHE360 5.0 76.4 1.0

A.Chaikuad, X.Ni, T.Hanke, C.H.Arrowsmith, A.M.Edwards, C.Bountra, D.Merk, S.Knapp, Structural Genomics Consortium (Sgc). Crystal Structure of Ppargamma in Complex with Compound 16 (MF27) To Be Published.