Chlorine in PDB 6kb7: X-Ray Structure of Human Pparalpha Ligand Binding Domain-WY14643 Co- Crystals Obtained By Delipidation and Cross-Seeding

The structure of X-Ray Structure of Human Pparalpha Ligand Binding Domain-WY14643 Co- Crystals Obtained By Delipidation and Cross-Seeding, PDB code: 6kb7 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)	32.95 / 2.14
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.966, 62.700, 53.696, 90.00, 105.61, 90.00
R / Rfree (%)	20 / 23.8

The binding sites of Chlorine atom in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-WY14643 Co- Crystals Obtained By Delipidation and Cross-Seeding (pdb code 6kb7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-WY14643 Co- Crystals Obtained By Delipidation and Cross-Seeding, PDB code: 6kb7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-WY14643 Co- Crystals Obtained By Delipidation and Cross-Seeding


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-WY14643 Co- Crystals Obtained By Delipidation and Cross-Seeding within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:57.9 occ:1.00 CL6 A:WY1501 0.0 57.9 1.0 C6 A:WY1501 1.8 36.7 1.0 N1 A:WY1501 2.6 36.3 1.0 C5 A:WY1501 2.8 35.2 1.0 H5 A:WY1501 2.9 42.4 1.0 SD A:MET355 2.9 48.2 1.0 CE A:MET355 3.2 38.5 1.0 CG A:LYS358 3.3 32.4 1.0 CE A:LYS358 3.3 34.3 1.0 CD A:LYS358 3.5 32.8 1.0 CE1 A:PHE318 3.8 29.5 1.0 C2 A:WY1501 3.9 36.6 1.0 CD2 A:LEU321 4.0 29.2 1.0 C4 A:WY1501 4.0 35.1 1.0 CB A:LYS358 4.0 31.7 1.0 O A:ILE354 4.1 34.7 1.0 CG2 A:ILE354 4.2 37.0 1.0 CA A:MET355 4.3 33.7 1.0 NZ A:LYS358 4.4 34.5 1.0 CD1 A:PHE318 4.4 27.5 1.0 CG A:MET355 4.4 35.2 1.0 N3 A:WY1501 4.5 35.4 1.0 CZ A:PHE318 4.6 30.3 1.0 C A:ILE354 4.6 35.5 1.0 CE1 A:HIS440 4.7 35.2 1.0 CB A:MET355 4.8 32.7 1.0 N A:MET355 4.8 34.8 1.0 ND1 A:HIS440 4.9 33.8 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-WY14643 Co- Crystals Obtained By Delipidation and Cross-Seeding


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Human Pparalpha Ligand Binding Domain-WY14643 Co- Crystals Obtained By Delipidation and Cross-Seeding within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:88.6 occ:1.00 CL6 A:WY1502 0.0 88.6 1.0 C6 A:WY1502 1.8 42.5 1.0 N1 A:WY1502 2.6 41.9 1.0 C5 A:WY1502 2.7 40.5 1.0 H5 A:WY1502 2.8 48.7 1.0 SG A:CYS278 3.3 48.6 1.0 CA A:CYS275 3.5 38.2 1.0 O A:HIS274 3.6 37.9 1.0 N A:CYS275 3.7 37.0 1.0 C A:HIS274 3.9 37.7 1.0 C2 A:WY1502 3.9 44.2 1.0 CB A:CYS278 3.9 41.3 1.0 C4 A:WY1502 4.0 39.5 1.0 CB A:CYS275 4.1 37.9 1.0 CD1 A:LEU258 4.3 41.9 1.0 N3 A:WY1502 4.4 40.6 1.0 C A:CYS275 4.6 38.6 1.0 O A:CYS275 4.7 38.8 1.0 SG A:CYS275 4.8 38.2 1.0 HAJ1 A:WY1502 4.9 57.1 1.0 CB A:HIS274 4.9 42.4 1.0 CG1 A:VAL255 5.0 35.5 1.0 HAH A:WY1502 5.0 44.5 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