Chlorine in PDB 6kb2: X-Ray Structure of Human Pparalpha Ligand Binding Domain-WY14643 Co- Crystals Obtained By Soaking

The structure of X-Ray Structure of Human Pparalpha Ligand Binding Domain-WY14643 Co- Crystals Obtained By Soaking, PDB code: 6kb2 was solved by S.Kamata, K.Suda, K.Saito, T.Oyama, I.Ishii, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.00 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.164, 62.681, 53.667, 90.00, 105.56, 90.00
R / Rfree (%)	20.5 / 24.4

The binding sites of Chlorine atom in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-WY14643 Co- Crystals Obtained By Soaking (pdb code 6kb2). 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 Soaking, PDB code: 6kb2:
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 Soaking


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 Soaking within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:58.4 occ:1.00 CL6 A:WY1501 0.0 58.4 1.0 C6 A:WY1501 1.8 41.8 1.0 N1 A:WY1501 2.7 40.2 1.0 C5 A:WY1501 2.7 38.9 1.0 H5 A:WY1501 2.8 46.7 1.0 SD A:MET355 3.1 64.7 1.0 CE A:MET355 3.2 31.2 1.0 CG A:LYS358 3.5 37.2 1.0 CD A:LYS358 3.6 37.9 1.0 CE A:LYS358 3.6 38.9 1.0 CE1 A:PHE318 3.8 31.7 1.0 C2 A:WY1501 3.9 40.6 1.0 CD2 A:LEU321 3.9 33.6 1.0 C4 A:WY1501 4.0 35.9 1.0 O A:ILE354 4.1 40.8 1.0 CB A:LYS358 4.1 35.0 1.0 CA A:MET355 4.3 37.7 1.0 CG2 A:ILE354 4.3 41.7 1.0 NZ A:LYS358 4.3 44.7 1.0 N3 A:WY1501 4.4 43.3 1.0 CD1 A:PHE318 4.4 32.6 1.0 CZ A:PHE318 4.5 36.8 1.0 C A:ILE354 4.6 43.2 1.0 CG A:MET355 4.6 39.1 1.0 CE1 A:HIS440 4.8 31.8 1.0 N A:MET355 4.8 38.1 1.0 CB A:MET355 4.8 34.7 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 Soaking


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 Soaking within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:98.9 occ:1.00 CL6 A:WY1502 0.0 98.9 1.0 C6 A:WY1502 1.8 46.6 1.0 N1 A:WY1502 2.7 45.2 1.0 C5 A:WY1502 2.7 44.9 1.0 H5 A:WY1502 2.8 53.9 1.0 SG A:CYS278 3.4 63.4 1.0 CA A:CYS275 3.5 39.7 1.0 O A:HIS274 3.7 39.4 1.0 N A:CYS275 3.8 41.4 1.0 CB A:CYS278 3.8 52.8 1.0 C2 A:WY1502 3.9 50.9 1.0 C A:HIS274 3.9 42.3 1.0 C4 A:WY1502 4.0 43.4 1.0 CB A:CYS275 4.2 41.0 1.0 CD1 A:LEU258 4.3 45.5 1.0 N3 A:WY1502 4.5 46.6 1.0 C A:CYS275 4.6 41.1 1.0 O A:CYS275 4.7 43.8 1.0 SG A:CYS275 4.8 43.4 1.0 HAJ2 A:WY1502 4.9 65.0 1.0 CB A:HIS274 4.9 50.0 1.0 CG1 A:VAL255 4.9 43.2 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