Chlorine in PDB 5wiu: Structure of the Human D4 Dopamine Receptor in Complex with Nemonapride

The structure of Structure of the Human D4 Dopamine Receptor in Complex with Nemonapride, PDB code: 5wiu was solved by D.Wacker, S.Wang, A.Levit, T.Che, R.M.Betz, J.D.Mccorvy, A.J.Venkatakrishnan, X.-P.Huang, R.O.Dror, B.K.Shoichet, B.L.Roth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.59 / 1.96
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	67.688, 164.047, 84.129, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 23.6

The binding sites of Chlorine atom in the Structure of the Human D4 Dopamine Receptor in Complex with Nemonapride (pdb code 5wiu). 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 Structure of the Human D4 Dopamine Receptor in Complex with Nemonapride, PDB code: 5wiu:

Chlorine binding site 1 out of 1 in the Structure of the Human D4 Dopamine Receptor in Complex with Nemonapride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Human D4 Dopamine Receptor in Complex with Nemonapride within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1201 b:41.8 occ:1.00 CLA A:AQD1201 0.0 41.8 1.0 CAU A:AQD1201 1.8 35.1 1.0 CAL A:AQD1201 2.7 32.2 1.0 CAV A:AQD1201 2.8 27.8 1.0 NAP A:AQD1201 3.0 31.8 1.0 CB A:SER196 3.4 36.7 1.0 OG A:SER196 3.5 36.0 1.0 O A:VAL193 3.7 33.8 1.0 N A:SER197 3.9 33.6 1.0 OG A:SER197 4.0 35.8 1.0 CA A:VAL193 4.0 33.9 1.0 CAX A:AQD1201 4.0 28.3 1.0 CAK A:AQD1201 4.1 32.7 1.0 C A:SER196 4.2 34.2 1.0 CG1 A:VAL193 4.3 34.1 1.0 C A:VAL193 4.3 33.2 1.0 CA A:SER196 4.4 34.4 1.0 CAA A:AQD1201 4.4 29.8 1.0 CD1 A:LEU187 4.5 41.7 1.0 CB A:VAL193 4.5 33.2 1.0 CAW A:AQD1201 4.6 27.2 1.0 CA A:SER197 4.6 31.6 1.0 CE1 A:PHE411 4.6 29.7 1.0 CG2 A:VAL193 4.7 34.8 1.0 O A:TYR192 4.8 32.5 1.0 CE2 A:TYR192 4.9 34.3 1.0 CB A:SER197 4.9 34.0 1.0 O A:SER196 4.9 34.9 1.0 N A:SER196 4.9 33.7 1.0

S.Wang, D.Wacker, A.Levit, T.Che, R.M.Betz, J.D.Mccorvy, A.J.Venkatakrishnan, X.P.Huang, R.O.Dror, B.K.Shoichet, B.L.Roth. D4 Dopamine Receptor High-Resolution Structures Enable the Discovery of Selective Agonists. Science V. 358 381 2017.
ISSN: ESSN 1095-9203
PubMed: 29051383
DOI: 10.1126/SCIENCE.AAN5468