Chlorine in PDB 6l36: X-Ray Structure of Human Pparalpha Ligand Binding Domain-GW9662- Fenofibric Acid Co-Crystals Obtained By Delipidation and Co- Crystallization

The structure of X-Ray Structure of Human Pparalpha Ligand Binding Domain-GW9662- Fenofibric Acid Co-Crystals Obtained By Delipidation and Co- Crystallization, PDB code: 6l36 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)	40.35 / 3.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.773, 102.550, 62.087, 90.00, 97.86, 90.00
R / Rfree (%)	19 / 25

The binding sites of Chlorine atom in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-GW9662- Fenofibric Acid Co-Crystals Obtained By Delipidation and Co- Crystallization (pdb code 6l36). 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-GW9662- Fenofibric Acid Co-Crystals Obtained By Delipidation and Co- Crystallization, PDB code: 6l36:
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-GW9662- Fenofibric 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- Fenofibric Acid Co-Crystals Obtained By Delipidation and Co- Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:0.4 occ:1.00 CL1 A:F5A504 0.0 0.4 1.0 C22 A:F5A504 1.8 95.2 1.0 C21 A:F5A504 2.7 91.7 1.0 C20 A:F5A504 2.8 96.2 1.0 H23 A:F5A504 2.8 0.1 1.0 H22 A:F5A504 2.9 0.6 1.0 CG A:LYS448 3.2 81.7 1.0 CB A:LYS448 3.2 83.7 1.0 CD A:LYS448 3.6 88.2 1.0 CB A:LEU456 3.6 95.1 1.0 CA A:LYS448 3.7 90.3 1.0 C19 A:F5A504 4.0 90.3 1.0 C18 A:F5A504 4.1 91.8 1.0 CE A:LYS448 4.3 94.2 1.0 CD2 A:LEU456 4.3 92.8 1.0 N A:LEU456 4.3 89.9 1.0 N A:LYS448 4.4 85.4 1.0 O A:ALA454 4.4 0.4 1.0 CG A:LEU456 4.4 88.0 1.0 CA A:LEU456 4.5 92.2 1.0 C17 A:F5A504 4.6 90.2 1.0 CD1 A:LEU456 4.7 85.9 1.0 H19 A:F5A504 4.8 0.6 1.0 H18 A:F5A504 4.8 0.3 1.0 C A:LYS448 4.9 90.4 1.0 O A:VAL444 5.0 82.1 1.0 C A:ILE447 5.0 88.4 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-GW9662- Fenofibric 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 2 of X-Ray Structure of Human Pparalpha Ligand Binding Domain-GW9662- Fenofibric Acid Co-Crystals Obtained By Delipidation and Co- Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:0.1 occ:1.00 CL1 B:F5A504 0.0 0.1 1.0 C22 B:F5A504 1.8 0.3 1.0 C21 B:F5A504 2.7 0.8 1.0 C20 B:F5A504 2.8 0.2 1.0 H23 B:F5A504 2.8 0.2 1.0 H22 B:F5A504 2.8 0.2 1.0 CB B:LEU456 3.1 1.0 1.0 O B:ASP453 3.4 0.4 1.0 CG B:LYS448 3.5 0.1 1.0 CB B:LYS448 3.6 0.6 1.0 N B:LEU456 3.7 0.9 1.0 CD B:LYS448 3.9 0.2 1.0 CA B:LYS448 3.9 0.6 1.0 CA B:LEU456 3.9 0.8 1.0 C19 B:F5A504 4.0 0.4 1.0 C18 B:F5A504 4.0 0.8 1.0 CG B:LEU456 4.1 0.1 1.0 CD2 B:LEU456 4.2 0.9 1.0 CE B:LYS448 4.4 0.5 1.0 N B:LYS448 4.5 0.4 1.0 C17 B:F5A504 4.6 0.4 1.0 C B:ASP453 4.6 0.1 1.0 CD1 B:LEU456 4.6 0.5 1.0 N B:ALA455 4.7 0.3 1.0 H19 B:F5A504 4.8 0.3 1.0 H18 B:F5A504 4.8 0.6 1.0 C B:ALA455 4.8 0.5 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