Fluorine in PDB 8jt6: 5-HT1A-Gi in Complex with Compound (R)-Ihch-7179

The binding sites of Fluorine atom in the 5-HT1A-Gi in Complex with Compound (R)-Ihch-7179 (pdb code 8jt6). 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 5-HT1A-Gi in Complex with Compound (R)-Ihch-7179, PDB code: 8jt6:

Fluorine binding site 1 out of 1 in the 5-HT1A-Gi in Complex with Compound (R)-Ihch-7179


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 5-HT1A-Gi in Complex with Compound (R)-Ihch-7179 within 5.0Å range: probe atom residue distance (Å) B Occ R:F509 b:25.2 occ:1.00 F1 R:EZX509 0.0 25.2 1.0 C21 R:EZX509 1.4 25.2 1.0 HE21 R:GLN97 2.1 29.7 1.0 C22 R:EZX509 2.4 25.2 1.0 C20 R:EZX509 2.4 25.2 1.0 HB2 R:GLN97 2.6 29.7 1.0 H13 R:EZX509 2.6 25.2 1.0 H12 R:EZX509 2.6 25.2 1.0 NE2 R:GLN97 2.7 29.7 1.0 HA R:GLN97 2.9 29.7 1.0 HE22 R:GLN97 2.9 29.7 1.0 CB R:GLN97 3.3 29.7 1.0 CA R:GLN97 3.4 29.7 1.0 N R:GLN97 3.4 29.7 1.0 H R:GLN97 3.4 29.7 1.0 HB3 R:TYR96 3.5 32.1 1.0 O R:ALA93 3.6 25.7 1.0 C23 R:EZX509 3.6 25.2 1.0 C19 R:EZX509 3.7 25.2 1.0 CD R:GLN97 3.7 29.7 1.0 HD2 R:TYR96 3.8 32.1 1.0 CD2 R:TYR96 3.9 32.1 1.0 C R:TYR96 4.0 32.1 1.0 CG R:GLN97 4.1 29.7 1.0 HB3 R:GLN97 4.1 29.7 1.0 C18 R:EZX509 4.1 25.2 1.0 CG R:TYR96 4.2 32.1 1.0 HE1 R:TRP387 4.2 25.2 1.0 CB R:TYR96 4.2 32.1 1.0 HG2 R:GLN97 4.4 29.7 1.0 H25 R:EZX509 4.5 25.2 1.0 H24 R:EZX509 4.5 25.2 1.0 O R:TYR96 4.5 32.1 1.0 CE2 R:TYR96 4.6 32.1 1.0 HB1 R:ALA93 4.6 25.7 1.0 HA R:ALA93 4.7 25.7 1.0 C R:ALA93 4.7 25.7 1.0 OE1 R:GLN97 4.7 29.7 1.0 CA R:TYR96 4.8 32.1 1.0 HE2 R:TYR96 4.8 32.1 1.0 C R:GLN97 4.8 29.7 1.0 NE1 R:TRP387 4.8 25.2 1.0 HG3 R:GLN97 4.9 29.7 1.0 CD1 R:TYR96 4.9 32.1 1.0 HD21 R:ASN386 4.9 25.8 1.0

Z.Cheng, P.Xu, S.Huang, H.E.Xu, S.Wang. Flexible Scaffold-Based Cheminformatics Approach For Polypharmacological Drug Design To Be Published.