Chlorine in PDB 5tgz: Crystal Structure of the Human Cannabinoid Receptor CB1

The structure of Crystal Structure of the Human Cannabinoid Receptor CB1, PDB code: 5tgz was solved by T.Hua, K.Vemuri, M.Pu, L.Qu, G.W.Han, Y.Wu, S.Zhao, W.Shui, S.Li, A.Korde, R.B.Laprairie, E.L.Stahl, J-H.Ho, N.Zvonok, H.Zhou, I.Kufareva, B.Wu, Q.Zhao, M.A.Hanson, L.M.Bohn, A.Makriyannis, R.C.Stevens, Z-J.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.05 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.560, 52.630, 143.630, 90.00, 111.14, 90.00
R / Rfree (%)	20.7 / 23.8

The binding sites of Chlorine atom in the Crystal Structure of the Human Cannabinoid Receptor CB1 (pdb code 5tgz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Human Cannabinoid Receptor CB1, PDB code: 5tgz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Human Cannabinoid Receptor CB1


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 Cannabinoid Receptor CB1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2001 b:0.3 occ:1.00 CLA A:ZDG2001 0.0 0.3 1.0 CAY A:ZDG2001 1.8 0.6 1.0 CAX A:ZDG2001 2.7 0.3 1.0 CAT A:ZDG2001 2.8 0.9 1.0 NAP A:ZDG2001 3.0 0.3 1.0 NAQ A:ZDG2001 3.5 0.9 1.0 CA A:PHE170 3.6 90.1 1.0 CD2 A:PHE170 3.7 0.9 1.0 CAO A:ZDG2001 3.7 1.0 1.0 CE A:MET103 3.7 0.9 1.0 CG2 A:VAL196 3.8 85.2 1.0 CB A:PHE170 3.8 87.7 1.0 CE2 A:PHE102 3.8 88.2 1.0 N A:PHE170 4.0 73.1 1.0 CAW A:ZDG2001 4.0 0.8 1.0 CAU A:ZDG2001 4.1 0.5 1.0 CZ A:PHE102 4.1 91.0 1.0 CG A:PHE170 4.2 94.0 1.0 CAK A:ZDG2001 4.2 0.4 1.0 OG A:SER173 4.3 0.5 1.0 CAL A:ZDG2001 4.3 0.9 1.0 CAR A:ZDG2001 4.3 0.9 1.0 CAS A:ZDG2001 4.4 0.6 1.0 C A:ILE169 4.5 95.8 1.0 CAV A:ZDG2001 4.6 0.6 1.0 CG2 A:ILE169 4.6 91.6 1.0 O A:ILE169 4.6 0.6 1.0 CE2 A:PHE170 4.7 96.3 1.0 O A:GLY166 4.8 85.8 1.0 CD2 A:PHE102 4.9 91.5 1.0 C A:PHE170 4.9 87.7 1.0 CB A:VAL196 5.0 85.7 1.0 CG1 A:VAL196 5.0 85.7 1.0 SD A:MET103 5.0 0.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Human Cannabinoid Receptor CB1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Human Cannabinoid Receptor CB1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2001 b:0.0 occ:1.00 CLB A:ZDG2001 0.0 0.0 1.0 CAW A:ZDG2001 1.8 0.8 1.0 CAX A:ZDG2001 2.7 0.3 1.0 CAV A:ZDG2001 2.8 0.6 1.0 C A:GLY166 3.5 87.9 1.0 CA A:GLY166 3.6 96.6 1.0 O A:GLY166 3.8 85.8 1.0 N A:SER167 3.9 89.3 1.0 OG A:SER390 4.0 0.7 1.0 CAY A:ZDG2001 4.0 0.6 1.0 CAU A:ZDG2001 4.1 0.5 1.0 O A:CYS386 4.3 0.2 1.0 CD1 A:LEU387 4.3 88.7 1.0 CAT A:ZDG2001 4.6 0.9 1.0 CA A:LEU387 4.6 84.3 1.0 CZ2 A:TRP356 4.6 80.3 1.0 CA A:SER167 4.6 88.6 1.0 N A:GLY166 4.8 90.5 1.0 OG A:SER199 4.8 0.9 1.0 C A:CYS386 4.8 92.7 1.0 CB A:SER390 4.9 93.8 1.0 CG1 A:VAL196 4.9 85.7 1.0 O A:ASP163 4.9 95.5 1.0 N A:LEU387 5.0 89.6 1.0

T.Hua, K.Vemuri, M.Pu, L.Qu, G.W.Han, Y.Wu, S.Zhao, W.Shui, S.Li, A.Korde, R.B.Laprairie, E.L.Stahl, J.H.Ho, N.Zvonok, H.Zhou, I.Kufareva, B.Wu, Q.Zhao, M.A.Hanson, L.M.Bohn, A.Makriyannis, R.C.Stevens, Z.J.Liu. Crystal Structure of the Human Cannabinoid Receptor CB1. Cell V. 167 750 2016.
ISSN: ISSN 1097-4172
PubMed: 27768894
DOI: 10.1016/J.CELL.2016.10.004