Chlorine in PDB 6lx4: X-Ray Structure of Human Pparalpha Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Delipidation and Co-Crystallization

The structure of X-Ray Structure of Human Pparalpha Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Delipidation and Co-Crystallization, PDB code: 6lx4 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)	36.22 / 2.13
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.941, 100.048, 62.022, 90.00, 101.61, 90.00
R / Rfree (%)	19.1 / 23

The binding sites of Chlorine atom in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Delipidation and Co-Crystallization (pdb code 6lx4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Delipidation and Co-Crystallization, PDB code: 6lx4:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-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-Fenofibric Acid Co-Crystals Obtained By Delipidation and Co-Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:25.7 occ:1.00 CL1 A:F5A501 0.0 25.7 1.0 C22 A:F5A501 1.8 28.8 1.0 C21 A:F5A501 2.7 29.4 1.0 C20 A:F5A501 2.8 29.5 1.0 H23 A:F5A501 2.8 35.3 1.0 H22 A:F5A501 2.9 35.4 1.0 CB A:LYS448 3.4 25.6 1.0 CB A:LEU456 3.5 34.2 1.0 CA A:LYS448 3.6 24.0 1.0 CG A:LYS448 3.6 29.5 1.0 N A:LEU456 3.9 26.1 1.0 C19 A:F5A501 4.0 26.8 1.0 C18 A:F5A501 4.1 29.3 1.0 CA A:LEU456 4.2 34.2 1.0 N A:LYS448 4.2 22.4 1.0 CD A:LYS448 4.2 29.9 1.0 O A:ALA454 4.4 44.2 1.0 CG A:LEU456 4.4 31.7 1.0 C17 A:F5A501 4.5 26.9 1.0 C A:ALA455 4.6 32.1 1.0 CD2 A:LEU456 4.6 30.0 1.0 H19 A:F5A501 4.7 32.2 1.0 CD1 A:LEU456 4.7 26.5 1.0 H18 A:F5A501 4.8 35.2 1.0 C A:LYS448 4.8 29.8 1.0 O A:VAL444 5.0 24.7 1.0 O A:LYS448 5.0 23.4 1.0 CA A:ALA455 5.0 42.2 1.0 CE A:LYS448 5.0 40.0 1.0

Chlorine binding site 2 out of 4 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-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-Fenofibric Acid Co-Crystals Obtained By Delipidation and Co-Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:40.8 occ:1.00 CL1 A:F5A502 0.0 40.8 1.0 C22 A:F5A502 1.8 37.3 1.0 C20 A:F5A502 2.7 33.2 1.0 C21 A:F5A502 2.8 32.8 1.0 H22 A:F5A502 2.8 39.8 1.0 H23 A:F5A502 2.9 39.3 1.0 CD1 A:LEU247 3.5 19.8 1.0 O A:HOH643 3.6 26.7 1.0 CD1 A:ILE241 4.0 25.9 1.0 C18 A:F5A502 4.0 32.1 1.0 C19 A:F5A502 4.0 31.7 1.0 CD1 A:ILE339 4.1 28.8 1.0 CG1 A:ILE272 4.2 19.0 1.0 CG2 A:ILE272 4.3 22.4 1.0 CA A:ILE272 4.4 22.9 1.0 C17 A:F5A502 4.5 33.5 1.0 CB A:ILE272 4.5 20.7 1.0 H18 A:F5A502 4.7 38.6 1.0 H19 A:F5A502 4.8 38.1 1.0 O A:ILE272 4.9 22.7 1.0 CG A:LEU247 5.0 20.0 1.0 CD1 A:LEU254 5.0 25.3 1.0

Chlorine binding site 3 out of 4 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-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 3 of X-Ray Structure of Human Pparalpha Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Delipidation and Co-Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:31.1 occ:1.00 CL1 B:F5A501 0.0 31.1 1.0 C22 B:F5A501 1.8 32.0 1.0 C20 B:F5A501 2.7 29.3 1.0 C21 B:F5A501 2.8 30.3 1.0 H22 B:F5A501 2.8 35.2 1.0 H23 B:F5A501 2.8 36.4 1.0 N B:LEU456 3.5 36.8 1.0 C B:ALA454 3.5 47.0 1.0 N B:ALA455 3.5 44.0 1.0 CG B:LYS448 3.6 33.3 1.0 O B:ALA454 3.6 48.5 1.0 CA B:LYS448 3.6 31.3 1.0 CA B:ALA455 3.6 34.8 1.0 CB B:LYS448 3.6 30.8 1.0 C B:ALA455 3.7 37.2 1.0 CB B:ALA454 3.7 34.2 1.0 C18 B:F5A501 4.0 27.6 1.0 C19 B:F5A501 4.0 27.0 1.0 O B:HOH683 4.1 38.8 1.0 CD1 B:LEU456 4.1 36.6 1.0 N B:LYS448 4.1 28.4 1.0 CA B:ALA454 4.2 42.0 1.0 CA B:LEU456 4.4 30.7 1.0 O B:ALA455 4.5 30.8 1.0 C17 B:F5A501 4.5 29.7 1.0 CB B:LEU456 4.7 38.7 1.0 H18 B:F5A501 4.8 33.2 1.0 C B:ILE447 4.8 31.6 1.0 CD B:LYS448 4.8 38.7 1.0 H19 B:F5A501 4.8 32.4 1.0 CG B:LEU456 4.8 35.4 1.0 O B:VAL444 4.9 24.8 1.0 C B:LYS448 4.9 34.9 1.0 CE B:LYS448 4.9 47.6 1.0 CD2 B:LEU456 4.9 28.7 1.0 CG2 B:ILE447 5.0 25.3 1.0 O B:ILE447 5.0 30.9 1.0

Chlorine binding site 4 out of 4 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-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 4 of X-Ray Structure of Human Pparalpha Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Delipidation and Co-Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:59.2 occ:1.00 CL1 B:F5A502 0.0 59.2 1.0 C22 B:F5A502 1.8 42.2 1.0 C20 B:F5A502 2.7 35.2 1.0 C21 B:F5A502 2.7 44.6 1.0 H22 B:F5A502 2.8 42.2 1.0 H23 B:F5A502 2.8 53.5 1.0 CD1 B:LEU247 3.4 20.9 1.0 CD1 B:ILE339 3.8 40.0 1.0 CD1 B:ILE241 3.9 27.5 1.0 C18 B:F5A502 4.0 38.4 1.0 C19 B:F5A502 4.0 41.9 1.0 CG1 B:ILE272 4.1 24.5 1.0 CA B:ILE272 4.4 26.0 1.0 CG2 B:ILE272 4.5 25.6 1.0 C17 B:F5A502 4.5 43.2 1.0 CB B:ILE272 4.5 25.9 1.0 CG1 B:ILE339 4.7 38.1 1.0 H18 B:F5A502 4.7 46.1 1.0 H19 B:F5A502 4.8 50.3 1.0 CG B:LEU247 5.0 21.6 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