Chlorine in PDB 7axf: Crystal Structure of the Hpxr-Lbd in Complex with Pretilachlor

The structure of Crystal Structure of the Hpxr-Lbd in Complex with Pretilachlor, PDB code: 7axf was solved by D.Harrus, V.Delfosse, W.Bourguet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.87 / 2.45
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	91.74, 91.74, 85.21, 90, 90, 90
R / Rfree (%)	19.6 / 24.6

The binding sites of Chlorine atom in the Crystal Structure of the Hpxr-Lbd in Complex with Pretilachlor (pdb code 7axf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Hpxr-Lbd in Complex with Pretilachlor, PDB code: 7axf:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Hpxr-Lbd in Complex with Pretilachlor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Hpxr-Lbd in Complex with Pretilachlor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:63.2 occ:0.44 CL A:S6T501 0.0 63.2 0.4 C6 A:S6T501 1.8 61.9 1.0 C5 A:S6T501 2.7 69.5 1.0 CB A:PHE288 3.2 28.9 1.0 O1 A:S6T501 3.2 66.8 1.0 CG A:PHE288 3.3 25.7 1.0 OE1 A:GLN285 3.3 32.6 1.0 CD2 A:PHE288 3.3 41.8 1.0 N A:S6T501 3.5 70.1 1.0 NE1 A:TRP299 3.6 26.9 1.0 NE2 A:HIS327 3.7 23.2 1.0 C7 A:S6T501 3.9 69.5 1.0 CE1 A:HIS327 3.9 26.1 1.0 CE2 A:TRP299 3.9 36.4 1.0 CD1 A:TRP299 4.0 31.6 1.0 CD1 A:PHE288 4.1 33.6 1.0 CE2 A:PHE288 4.2 49.6 1.0 CD A:GLN285 4.2 35.9 1.0 C14 A:S6T501 4.2 64.4 1.0 C15 A:S6T501 4.3 61.4 1.0 CZ2 A:TRP299 4.3 36.8 1.0 NE2 A:GLN285 4.5 39.2 1.0 CD2 A:TRP299 4.5 32.2 1.0 CD2 A:HIS327 4.5 23.9 1.0 CG A:TRP299 4.6 32.0 1.0 C4 A:S6T501 4.6 66.8 1.0 CA A:PHE288 4.7 27.1 1.0 C8 A:S6T501 4.7 68.9 1.0 CE1 A:PHE288 4.8 33.0 1.0 ND1 A:HIS327 4.8 25.0 1.0 CZ A:PHE288 4.8 48.5 1.0

V.Delfosse, T.Huet, D.Harrus, M.Granell, M.Bourguet, C.Gardia-Parege, B.Chiavarina, M.Grimaldi, S.Le Mevel, P.Blanc, D.Huang, J.Gruszczyk, B.Demeneix, S.Cianferani, J.B.Fini, P.Balaguer, W.Bourguet. Mechanistic Insights Into the Synergistic Activation of the Rxr-Pxr Heterodimer By Endocrine Disruptor Mixtures. Proc.Natl.Acad.Sci.Usa V. 118 2021.
ISSN: ESSN 1091-6490
PubMed: 33361153
DOI: 10.1073/PNAS.2020551118