Chlorine in PDB 7bpz: X-Ray Structure of Human Pparalpha Ligand Binding Domain-Bezafibrate- SRC1 Coactivator Peptide Co-Crystals Obtained By Soaking

All present enzymatic activity of X-Ray Structure of Human Pparalpha Ligand Binding Domain-Bezafibrate- SRC1 Coactivator Peptide Co-Crystals Obtained By Soaking:
2.3.1.48;

The structure of X-Ray Structure of Human Pparalpha Ligand Binding Domain-Bezafibrate- SRC1 Coactivator Peptide Co-Crystals Obtained By Soaking, PDB code: 7bpz was solved by S.Kamata, R.Ishikawa, M.Akahane, T.Oyama, I.Ishii, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.07 / 2.43
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.126, 101.623, 61.098, 90.00, 100.93, 90.00
R / Rfree (%)	20.1 / 24.2

The binding sites of Chlorine atom in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-Bezafibrate- SRC1 Coactivator Peptide Co-Crystals Obtained By Soaking (pdb code 7bpz). 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-Bezafibrate- SRC1 Coactivator Peptide Co-Crystals Obtained By Soaking, PDB code: 7bpz:
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-Bezafibrate- SRC1 Coactivator Peptide 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-Bezafibrate- SRC1 Coactivator Peptide Co-Crystals Obtained By Soaking within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:90.0 occ:1.00 CL A:PEM501 0.0 90.0 1.0 C4 A:PEM501 1.8 83.2 1.0 C5 A:PEM501 2.7 77.7 1.0 C3 A:PEM501 2.8 91.0 1.0 H51 A:PEM501 2.8 93.3 1.0 H31 A:PEM501 2.9 0.3 1.0 CG2 A:ILE272 3.8 67.8 1.0 CB A:CYS275 3.9 69.9 1.0 C6 A:PEM501 4.0 84.0 1.0 CD1 A:ILE339 4.0 51.8 1.0 C2 A:PEM501 4.1 86.5 1.0 CG1 A:VAL332 4.5 49.7 1.0 O A:ILE272 4.5 61.9 1.0 C1 A:PEM501 4.6 84.2 1.0 CB A:ILE272 4.6 66.8 1.0 CA A:ILE272 4.6 66.2 1.0 SG A:CYS275 4.7 80.0 1.0 HC6 A:PEM501 4.7 0.8 1.0 CG1 A:ILE272 4.7 63.0 1.0 H21 A:PEM501 4.8 0.9 1.0 CG2 A:ILE339 5.0 49.4 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-Bezafibrate- SRC1 Coactivator Peptide 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-Bezafibrate- SRC1 Coactivator Peptide Co-Crystals Obtained By Soaking within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl501 b:67.6 occ:1.00 CL C:PEM501 0.0 67.6 1.0 C4 C:PEM501 1.8 60.8 1.0 C3 C:PEM501 2.7 62.3 1.0 C5 C:PEM501 2.8 66.4 1.0 H31 C:PEM501 2.8 74.8 1.0 H51 C:PEM501 2.9 79.7 1.0 CD1 C:ILE339 3.8 38.0 1.0 C2 C:PEM501 4.0 59.0 1.0 C6 C:PEM501 4.1 60.2 1.0 CB C:CYS275 4.1 55.8 1.0 CG2 C:ILE272 4.3 54.5 1.0 CG1 C:VAL332 4.3 42.6 1.0 C1 C:PEM501 4.5 56.6 1.0 CG1 C:ILE272 4.7 53.6 1.0 H21 C:PEM501 4.7 70.9 1.0 O C:ILE272 4.7 51.9 1.0 CA C:ILE272 4.8 54.7 1.0 HC6 C:PEM501 4.8 72.3 1.0 CB C:ILE272 4.8 56.2 1.0 SG C:CYS275 4.9 66.7 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