Chlorine in PDB 3pbl: Structure of the Human Dopamine D3 Receptor in Complex with Eticlopride

All present enzymatic activity of Structure of the Human Dopamine D3 Receptor in Complex with Eticlopride:
3.2.1.17;

The structure of Structure of the Human Dopamine D3 Receptor in Complex with Eticlopride, PDB code: 3pbl was solved by E.Y.T.Chien, W.Liu, G.W.Han, V.Katritch, Q.Zhao, V.Cherezov, R.C.Stevens, Accelerated Technologies Center For Gene To 3D Structure (Atcg3D), Gpcr Network (Gpcr), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.45 / 2.89
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.828, 92.492, 176.116, 90.00, 90.00, 90.00
R / Rfree (%)	24.3 / 27.2

The binding sites of Chlorine atom in the Structure of the Human Dopamine D3 Receptor in Complex with Eticlopride (pdb code 3pbl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Human Dopamine D3 Receptor in Complex with Eticlopride, PDB code: 3pbl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of the Human Dopamine D3 Receptor in Complex with Eticlopride


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 Dopamine D3 Receptor in Complex with Eticlopride within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1200 b:84.2 occ:1.00 CL1 A:ETQ1200 0.0 84.2 1.0 C4 A:ETQ1200 1.7 55.6 1.0 C5 A:ETQ1200 2.7 81.3 1.0 C3 A:ETQ1200 2.7 73.5 1.0 O2 A:ETQ1200 2.9 57.1 1.0 C6 A:ETQ1200 3.2 27.1 1.0 CA A:VAL111 3.4 44.0 1.0 CB A:CYS114 3.6 50.5 1.0 O A:VAL111 3.8 46.6 1.0 CG1 A:VAL111 3.8 46.8 1.0 CB A:VAL111 4.0 47.8 1.0 C7 A:ETQ1200 4.0 0.2 1.0 C2 A:ETQ1200 4.0 10.0 1.0 C A:VAL111 4.1 48.6 1.0 SG A:CYS114 4.1 54.8 1.0 O A:ASP110 4.1 47.8 1.0 CG2 A:VAL111 4.2 48.9 1.0 CZ A:PHE346 4.2 66.2 1.0 N A:VAL111 4.4 45.0 1.0 OG A:SER192 4.5 59.5 1.0 C1 A:ETQ1200 4.5 71.0 1.0 OG A:SER196 4.6 63.5 1.0 CB A:SER196 4.6 52.7 1.0 C A:ASP110 4.6 48.7 1.0 CA A:CYS114 4.8 49.2 1.0 N A:THR115 4.8 47.3 1.0 OG1 A:THR115 4.9 53.5 1.0 C A:CYS114 5.0 51.5 1.0 CE1 A:PHE346 5.0 69.0 1.0

Chlorine binding site 2 out of 2 in the Structure of the Human Dopamine D3 Receptor in Complex with Eticlopride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Human Dopamine D3 Receptor in Complex with Eticlopride within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1200 b:61.7 occ:1.00 CL1 B:ETQ1200 0.0 61.7 1.0 C4 B:ETQ1200 1.7 15.5 1.0 C3 B:ETQ1200 2.7 91.8 1.0 C5 B:ETQ1200 2.7 27.8 1.0 O2 B:ETQ1200 2.9 72.2 1.0 C6 B:ETQ1200 3.3 11.6 1.0 CB B:CYS114 3.4 42.8 1.0 CA B:VAL111 3.6 38.0 1.0 SG B:CYS114 3.7 47.5 1.0 CG1 B:VAL111 3.9 41.1 1.0 O B:VAL111 4.0 41.8 1.0 C2 B:ETQ1200 4.0 52.7 1.0 C7 B:ETQ1200 4.0 80.1 1.0 CB B:VAL111 4.1 41.6 1.0 CG2 B:VAL111 4.1 42.6 1.0 CZ B:PHE346 4.2 57.1 1.0 C B:VAL111 4.3 42.2 1.0 O B:ASP110 4.3 41.4 1.0 CB B:SER196 4.5 40.4 1.0 C1 B:ETQ1200 4.5 25.1 1.0 OG B:SER192 4.5 46.6 1.0 N B:VAL111 4.5 38.8 1.0 CA B:CYS114 4.7 41.6 1.0 N B:THR115 4.7 38.8 1.0 OG B:SER196 4.7 49.2 1.0 OG1 B:THR115 4.8 44.7 1.0 C B:ASP110 4.8 42.3 1.0 CE1 B:PHE346 4.9 60.5 1.0 C B:CYS114 5.0 43.8 1.0

E.Y.Chien, W.Liu, Q.Zhao, V.Katritch, G.W.Han, M.A.Hanson, L.Shi, A.H.Newman, J.A.Javitch, V.Cherezov, R.C.Stevens. Structure of the Human Dopamine D3 Receptor in Complex with A D2/D3 Selective Antagonist. Science V. 330 1091 2010.
ISSN: ISSN 0036-8075
PubMed: 21097933
DOI: 10.1126/SCIENCE.1197410