Fluorine in PDB 6luq: Haloperidol Bound D2 Dopamine Receptor Structure Inspired Discovery of Subtype Selective Ligands

Enzymatic activity of Haloperidol Bound D2 Dopamine Receptor Structure Inspired Discovery of Subtype Selective Ligands

All present enzymatic activity of Haloperidol Bound D2 Dopamine Receptor Structure Inspired Discovery of Subtype Selective Ligands:
3.2.1.17;

Protein crystallography data

The structure of Haloperidol Bound D2 Dopamine Receptor Structure Inspired Discovery of Subtype Selective Ligands, PDB code: 6luq was solved by L.Fan, L.Tan, Z.Chen, J.Qi, F.Nie, Z.Luo, J.Cheng, S.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.39 / 3.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.433, 72.820, 150.269, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 22.9

Other elements in 6luq:

The structure of Haloperidol Bound D2 Dopamine Receptor Structure Inspired Discovery of Subtype Selective Ligands also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Haloperidol Bound D2 Dopamine Receptor Structure Inspired Discovery of Subtype Selective Ligands (pdb code 6luq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Haloperidol Bound D2 Dopamine Receptor Structure Inspired Discovery of Subtype Selective Ligands, PDB code: 6luq:

Fluorine binding site 1 out of 1 in 6luq

Go back to Fluorine Binding Sites List in 6luq
Fluorine binding site 1 out of 1 in the Haloperidol Bound D2 Dopamine Receptor Structure Inspired Discovery of Subtype Selective Ligands


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Haloperidol Bound D2 Dopamine Receptor Structure Inspired Discovery of Subtype Selective Ligands within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:66.0
occ:1.00
 F26 A:GMJ1201 0.0 66.0 1.0
C03 A:GMJ1201 1.5 65.8 1.0
C02 A:GMJ1201 2.4 67.2 1.0
C04 A:GMJ1201 2.5 56.0 1.0
CZ A:PHE403 3.2 56.5 1.0
CE2 A:PHE403 3.3 51.3 1.0
CD1 A:PHE198 3.4 49.8 1.0
C01 A:GMJ1201 3.7 67.6 1.0
CB A:ALA122 3.7 55.9 1.0
C05 A:GMJ1201 3.8 42.8 1.0
O A:CYS118 3.8 84.5 1.0
O A:SER197 3.9 55.1 1.0
CE1 A:PHE198 4.1 48.0 1.0
C06 A:GMJ1201 4.2 55.4 1.0
CG A:PHE198 4.4 44.0 1.0
CB A:PHE198 4.5 44.5 1.0
C A:CYS118 4.5 51.8 1.0
CE1 A:PHE403 4.5 54.9 1.0
CA A:PHE198 4.6 43.6 1.0
CD2 A:PHE403 4.7 40.5 1.0
CD1 A:TRP407 4.7 68.7 1.0
CA A:ALA122 4.7 58.1 1.0
N A:ALA122 4.8 49.0 1.0
C A:SER197 4.9 62.2 1.0
CE2 A:PHE411 4.9 69.6 1.0
CB A:CYS118 4.9 64.0 1.0
CG A:TRP407 4.9 63.3 1.0
CZ A:PHE411 4.9 75.9 1.0
NE1 A:TRP407 5.0 84.1 1.0

Reference:

L.Fan, L.Tan, Z.Chen, J.Qi, F.Nie, Z.Luo, J.Cheng, S.Wang. Haloperidol Bound D2 Dopamine Receptor Structure Inspired the Discovery of Subtype Selective Ligands Nat Commun 2020.
ISSN: ESSN 2041-1723
Page generated: Sun Dec 13 12:57:18 2020

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