Chlorine in PDB 4s0v: Crystal Structure of the Human OX2 Orexin Receptor Bound to the Insomnia Drug Suvorexant

The structure of Crystal Structure of the Human OX2 Orexin Receptor Bound to the Insomnia Drug Suvorexant, PDB code: 4s0v was solved by J.Yin, P.Kolb, J.C.Mobarec, D.M.Rosenbaum, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.72 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	94.358, 75.819, 96.335, 90.00, 111.71, 90.00
R / Rfree (%)	19.7 / 24.2

The binding sites of Chlorine atom in the Crystal Structure of the Human OX2 Orexin Receptor Bound to the Insomnia Drug Suvorexant (pdb code 4s0v). 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 Human OX2 Orexin Receptor Bound to the Insomnia Drug Suvorexant, PDB code: 4s0v:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Human OX2 Orexin Receptor Bound to the Insomnia Drug Suvorexant


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 Human OX2 Orexin Receptor Bound to the Insomnia Drug Suvorexant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2001 b:41.5 occ:1.00 CL1 A:SUV2001 0.0 41.5 1.0 C5 A:SUV2001 1.7 22.6 1.0 C6 A:SUV2001 2.7 30.7 1.0 C4 A:SUV2001 2.7 21.6 1.0 CZ3 A:TRP120 3.5 32.5 1.0 CG2 A:VAL114 3.6 28.2 1.0 CA A:THR111 3.7 21.0 1.0 N A:THR111 3.8 20.6 1.0 OG1 A:THR111 3.8 29.0 1.0 C A:ALA110 3.9 30.7 1.0 O A:ALA110 3.9 45.6 1.0 C3 A:SUV2001 3.9 35.0 1.0 C7 A:SUV2001 4.0 28.6 1.0 CB A:VAL114 4.1 31.4 1.0 CB A:ALA110 4.2 22.6 1.0 CH2 A:TRP120 4.3 26.4 1.0 CB A:THR111 4.3 22.6 1.0 C8 A:SUV2001 4.4 32.1 1.0 CE3 A:TRP120 4.4 23.8 1.0 CG1 A:VAL114 4.6 27.4 1.0 CA A:ALA110 4.7 31.7 1.0 CG2 A:ILE130 4.8 19.2 1.0 CG2 A:THR111 4.8 30.0 1.0 C A:THR111 4.9 29.9 1.0

J.Yin, J.C.Mobarec, P.Kolb, D.M.Rosenbaum. Crystal Structure of the Human OX2 Orexin Receptor Bound to the Insomnia Drug Suvorexant. Nature 2014.
ISSN: ESSN 1476-4687
PubMed: 25533960
DOI: 10.1038/NATURE14035