Chlorine in PDB 8hul: X-Ray Structure of Human Ppar Delta Ligand Binding Domain-Lanifibranor Co-Crystals Obtained By Co-Crystallization

The structure of X-Ray Structure of Human Ppar Delta Ligand Binding Domain-Lanifibranor Co-Crystals Obtained By Co-Crystallization, PDB code: 8hul was solved by S.Kamata, A.Honda, Y.Machida, K.Uchii, Y.Shiiyama, R.Masuda, T.Oyama, I.Ishii, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.81 / 2.46
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.166, 94.948, 96.932, 90, 97.78, 90
R / Rfree (%)	21.1 / 24.3

The binding sites of Chlorine atom in the X-Ray Structure of Human Ppar Delta Ligand Binding Domain-Lanifibranor Co-Crystals Obtained By Co-Crystallization (pdb code 8hul). 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 Ppar Delta Ligand Binding Domain-Lanifibranor Co-Crystals Obtained By Co-Crystallization, PDB code: 8hul:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of Human Ppar Delta Ligand Binding Domain-Lanifibranor 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 Ppar Delta Ligand Binding Domain-Lanifibranor Co-Crystals Obtained By Co-Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:53.5 occ:1.00 CL1 A:BJB501 0.0 53.5 1.0 C7 A:BJB501 1.8 52.7 1.0 C8 A:BJB501 2.8 48.8 1.0 C6 A:BJB501 2.8 42.2 1.0 H9 A:BJB501 2.9 50.6 1.0 H1 A:BJB501 3.0 58.5 1.0 CD1 A:LEU320 3.3 42.1 1.0 O A:PHE324 3.4 58.7 1.0 CG1 A:VAL245 3.6 29.2 1.0 CB A:PHE324 3.9 45.5 1.0 C A:PHE324 4.0 43.8 1.0 CB A:VAL245 4.2 41.5 1.0 C9 A:BJB501 4.2 55.6 1.0 C4 A:BJB501 4.3 42.3 1.0 CA A:PHE324 4.4 39.9 1.0 CD1 A:LEU317 4.5 32.1 1.0 N A:PHE246 4.6 35.8 1.0 CG A:LEU320 4.6 41.9 1.0 O A:SER242 4.7 36.2 1.0 C A:VAL245 4.8 40.0 1.0 C5 A:BJB501 4.8 43.9 1.0 CB A:LEU320 4.9 45.4 1.0 CG A:PHE324 4.9 40.8 1.0 N A:SER325 4.9 45.4 1.0 CA A:PHE246 5.0 35.6 1.0 H2 A:BJB501 5.0 66.7 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of Human Ppar Delta Ligand Binding Domain-Lanifibranor 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 Ppar Delta Ligand Binding Domain-Lanifibranor Co-Crystals Obtained By Co-Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:45.3 occ:1.00 CL1 B:BJB501 0.0 45.3 1.0 C7 B:BJB501 1.8 45.5 1.0 C8 B:BJB501 2.8 46.6 1.0 C6 B:BJB501 2.9 36.0 1.0 H1 B:BJB501 2.9 56.0 1.0 H9 B:BJB501 3.0 43.2 1.0 CD1 B:LEU320 3.4 29.7 1.0 CG1 B:VAL245 3.5 27.0 1.0 O B:PHE324 3.8 41.2 1.0 CB B:PHE324 4.1 27.7 1.0 CB B:VAL245 4.1 32.9 1.0 C9 B:BJB501 4.2 42.7 1.0 C4 B:BJB501 4.3 42.0 1.0 C B:PHE324 4.3 30.1 1.0 CD2 B:LEU317 4.5 27.1 1.0 N B:PHE246 4.5 29.0 1.0 CA B:PHE324 4.6 31.2 1.0 O B:SER242 4.6 35.6 1.0 C B:VAL245 4.7 36.6 1.0 CG B:LEU320 4.7 34.8 1.0 C5 B:BJB501 4.8 37.2 1.0 CA B:PHE246 4.8 30.8 1.0 H2 B:BJB501 5.0 51.2 1.0 CG B:PHE324 5.0 30.8 1.0

S.Kamata, A.Honda, R.Ishikawa, M.Akahane, A.Fujita, C.Kaneko, S.Miyawaki, Y.Habu, Y.Shiiyama, K.Uchii, Y.Machida, T.Oyama, I.Ishii. Functional and Structural Insights Into the Human Ppar Alpha / Delta / Gamma Targeting Preferences of Anti-Nash Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor Antioxidants V. 12 1523 2023.
ISSN: ESSN 2076-3921
DOI: 10.3390/ANTIOX12081523