Chlorine in PDB 7vod: Crystal Structure of 5-HT2AR in Complex with Cariprazine

Protein crystallography data

The structure of Crystal Structure of 5-HT2AR in Complex with Cariprazine, PDB code: 7vod was solved by Z.Chen, L.Fan, H.Wang, J.Yu, D.Lu, J.Qi, F.Nie, Z.Luo, Z.Liu, J.Cheng, S.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.42 / 3.30
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 50.27, 55.04, 180.29, 90, 90, 90
R / Rfree (%) 21.8 / 23.9

Other elements in 7vod:

The structure of Crystal Structure of 5-HT2AR in Complex with Cariprazine also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 5-HT2AR in Complex with Cariprazine (pdb code 7vod). 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 5-HT2AR in Complex with Cariprazine, PDB code: 7vod:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7vod

Go back to Chlorine Binding Sites List in 7vod
Chlorine binding site 1 out of 2 in the Crystal Structure of 5-HT2AR in Complex with Cariprazine


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 5-HT2AR in Complex with Cariprazine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1208

b:197.2
occ:1.00
CL1 A:7RU1208 0.0 197.2 1.0
C18 A:7RU1208 1.8 177.8 1.0
C17 A:7RU1208 2.6 204.7 1.0
CL2 A:7RU1208 2.6 220.5 1.0
C19 A:7RU1208 2.9 142.0 1.0
CB A:LEU228 3.4 80.4 1.0
C16 A:7RU1208 4.0 178.1 1.0
C20 A:7RU1208 4.1 121.4 1.0
CD2 A:LEU228 4.2 100.8 1.0
CA A:LEU228 4.4 74.6 1.0
O A:CYS227 4.4 76.3 1.0
CG A:LEU228 4.5 85.7 1.0
C21 A:7RU1208 4.6 136.1 1.0
OD1 A:ASN363 4.8 73.3 1.0

Chlorine binding site 2 out of 2 in 7vod

Go back to Chlorine Binding Sites List in 7vod
Chlorine binding site 2 out of 2 in the Crystal Structure of 5-HT2AR in Complex with Cariprazine


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 5-HT2AR in Complex with Cariprazine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1208

b:220.5
occ:1.00
CL2 A:7RU1208 0.0 220.5 1.0
C17 A:7RU1208 1.8 204.7 1.0
C18 A:7RU1208 2.6 177.8 1.0
CL1 A:7RU1208 2.6 197.2 1.0
C16 A:7RU1208 2.9 178.1 1.0
N4 A:7RU1208 3.4 166.8 1.0
CE1 A:PHE339 3.4 84.0 1.0
CZ A:PHE339 3.5 78.9 1.0
C19 A:7RU1208 3.9 142.0 1.0
C13 A:7RU1208 4.0 144.8 1.0
C21 A:7RU1208 4.1 136.1 1.0
C14 A:7RU1208 4.5 144.0 1.0
C20 A:7RU1208 4.5 121.4 1.0
CB A:LEU362 4.7 76.7 1.0
O A:LEU362 4.7 62.1 1.0
CD1 A:PHE339 4.8 77.9 1.0
CB A:VAL366 4.8 80.3 1.0
CE2 A:PHE339 4.8 76.7 1.0
CG2 A:VAL366 4.9 81.9 1.0
CG1 A:VAL366 5.0 89.2 1.0

Reference:

Z.Chen, L.Fan, H.Wang, J.Yu, D.Lu, J.Qi, F.Nie, Z.Luo, Z.Liu, J.Cheng, S.Wang. Structure-Based Design of A Novel Third-Generation Antipsychotic Drug Lead with Potential Antidepressant Properties. Nat.Neurosci. 2021.
ISSN: ISSN 1097-6256
PubMed: 34887590
DOI: 10.1038/S41593-021-00971-W
Page generated: Fri Dec 24 05:47:15 2021

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy