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

The structure of X-Ray Structure of Human Pparalpha Ligand Binding Domain-WY14643 Co- Crystals Obtained By Co-Crystallization, PDB code: 6kba 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)	26.73 / 1.82
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.949, 62.549, 53.572, 90.00, 105.94, 90.00
R / Rfree (%)	20.4 / 23.6

The binding sites of Chlorine atom in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-WY14643 Co- Crystals Obtained By Co-Crystallization (pdb code 6kba). 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 Co-Crystallization, PDB code: 6kba:
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 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-WY14643 Co- Crystals Obtained By Co-Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:87.6 occ:1.00 CL6 A:WY1501 0.0 87.6 1.0 C6 A:WY1501 1.8 42.7 1.0 N1 A:WY1501 2.7 43.9 1.0 C5 A:WY1501 2.7 42.3 1.0 H5 A:WY1501 2.8 50.7 1.0 SG A:CYS278 3.3 56.2 1.0 CA A:CYS275 3.4 37.2 1.0 O A:HIS274 3.5 36.1 1.0 CB A:CYS278 3.7 46.5 1.0 N A:CYS275 3.7 37.4 1.0 C A:HIS274 3.8 35.2 1.0 C2 A:WY1501 4.0 49.1 1.0 C4 A:WY1501 4.0 40.8 1.0 CB A:CYS275 4.1 33.8 1.0 C A:CYS275 4.4 33.6 1.0 N3 A:WY1501 4.5 45.5 1.0 CD1 A:LEU258 4.5 44.3 1.0 O A:CYS275 4.5 34.7 1.0 SG A:CYS275 4.7 39.7 1.0 CB A:HIS274 5.0 42.3 1.0 CA A:CYS278 5.0 37.6 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 Co-Crystallization


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 Co-Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:68.4 occ:1.00 CL6 A:WY1502 0.0 68.4 1.0 C6 A:WY1502 1.8 40.3 1.0 N1 A:WY1502 2.6 35.1 1.0 C5 A:WY1502 2.8 35.3 1.0 H5 A:WY1502 2.9 42.4 1.0 SD A:MET355 3.0 49.6 1.0 CE A:MET355 3.2 29.2 1.0 CE A:LYS358 3.3 31.2 1.0 CG A:LYS358 3.4 31.2 1.0 CD A:LYS358 3.4 34.0 1.0 CE1 A:PHE318 3.9 27.2 1.0 C2 A:WY1502 3.9 39.5 1.0 O A:ILE354 4.0 33.3 1.0 C4 A:WY1502 4.0 34.0 1.0 CB A:LYS358 4.0 29.5 1.0 CD2 A:LEU321 4.1 27.9 1.0 NZ A:LYS358 4.1 31.4 1.0 CG2 A:ILE354 4.2 35.5 1.0 CA A:MET355 4.2 34.6 1.0 N3 A:WY1502 4.5 39.0 1.0 CG A:MET355 4.5 41.9 1.0 CD1 A:PHE318 4.5 25.9 1.0 C A:ILE354 4.5 32.1 1.0 CZ A:PHE318 4.6 23.6 1.0 CE1 A:HIS440 4.7 28.2 1.0 N A:MET355 4.8 31.2 1.0 CB A:MET355 4.8 32.5 1.0 ND1 A:HIS440 4.9 28.4 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