Chlorine in PDB 6kyp: X-Ray Structure of Human Pparalpha Ligand Binding Domain-GW9662- Clofibric Acid Co-Crystals Obtained By Delipidation and Co- Crystallization

The structure of X-Ray Structure of Human Pparalpha Ligand Binding Domain-GW9662- Clofibric Acid Co-Crystals Obtained By Delipidation and Co- Crystallization, PDB code: 6kyp was solved by S.Kamata, K.Saito, A.Honda, R.Ishikawa, T.Oyama, I.Ishii, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.62 / 2.86
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.710, 102.478, 61.465, 90.00, 100.15, 90.00
R / Rfree (%)	19.5 / 24.4

The binding sites of Chlorine atom in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-GW9662- Clofibric Acid Co-Crystals Obtained By Delipidation and Co- Crystallization (pdb code 6kyp). 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 X-Ray Structure of Human Pparalpha Ligand Binding Domain-GW9662- Clofibric Acid Co-Crystals Obtained By Delipidation and Co- Crystallization, PDB code: 6kyp:

Chlorine binding site 1 out of 1 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-GW9662- Clofibric Acid Co-Crystals Obtained By Delipidation and Co- Crystallization


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Human Pparalpha Ligand Binding Domain-GW9662- Clofibric Acid Co-Crystals Obtained By Delipidation and Co- Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:93.8 occ:1.00 CL1 B:E0O504 0.0 93.8 1.0 C14 B:E0O504 1.8 66.2 1.0 C12 B:E0O504 2.7 62.9 1.0 C13 B:E0O504 2.8 64.5 1.0 H21 B:E0O504 2.8 75.3 1.0 H31 B:E0O504 2.8 77.3 1.0 H11 B:GW9501 3.2 62.5 1.0 CD2 B:LEU321 3.5 42.5 1.0 C11 B:GW9501 3.7 52.2 1.0 H10 B:GW9501 3.7 66.2 1.0 CD1 B:LEU321 3.8 45.9 1.0 C10 B:GW9501 4.0 55.2 1.0 C10 B:E0O504 4.0 63.4 1.0 C11 B:E0O504 4.0 64.6 1.0 CE B:MET355 4.0 42.9 1.0 SD B:MET355 4.2 53.2 1.0 CG B:LEU321 4.2 37.6 1.0 CE1 B:PHE318 4.4 35.5 1.0 CG2 B:ILE317 4.5 35.2 1.0 C09 B:E0O504 4.6 61.2 1.0 O2 B:GW9501 4.6 48.6 1.0 C12 B:GW9501 4.7 52.1 1.0 CD1 B:PHE318 4.7 35.3 1.0 H01 B:E0O504 4.8 76.0 1.0 H11 B:E0O504 4.8 77.4 1.0 CB B:LEU321 4.8 30.9 1.0

S.Kamata, T.Oyama, K.Saito, A.Honda, Y.Yamamoto, K.Suda, R.Ishikawa, T.Itoh, Y.Watanabe, T.Shibata, K.Uchida, M.Suematsu, I.Ishii. Ppar Alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience V. 23 01727 2020.
ISSN: ESSN 2589-0042
PubMed: 33205029
DOI: 10.1016/J.ISCI.2020.101727