Fluorine in PDB 7ca3: Cryo-Em Structure of Human Gaba(B) Receptor Bound to the Positive Allosteric Modulator Rac-Bhff

The binding sites of Fluorine atom in the Cryo-Em Structure of Human Gaba(B) Receptor Bound to the Positive Allosteric Modulator Rac-Bhff (pdb code 7ca3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Cryo-Em Structure of Human Gaba(B) Receptor Bound to the Positive Allosteric Modulator Rac-Bhff, PDB code: 7ca3:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cryo-Em Structure of Human Gaba(B) Receptor Bound to the Positive Allosteric Modulator Rac-Bhff


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em Structure of Human Gaba(B) Receptor Bound to the Positive Allosteric Modulator Rac-Bhff within 5.0Å range: probe atom residue distance (Å) B Occ B:F902 b:48.7 occ:1.00 F1 B:FN0902 0.0 48.7 1.0 C17 B:FN0902 1.3 48.7 1.0 F2 B:FN0902 2.1 48.7 1.0 F3 B:FN0902 2.1 48.7 1.0 C7 B:FN0902 2.4 48.7 1.0 HB2 B:MET694 2.8 20.0 1.0 C5 B:FN0902 2.9 48.7 1.0 C13 B:FN0902 2.9 48.7 1.0 O1 B:FN0902 3.1 48.7 1.0 HA B:TYR691 3.2 0.4 1.0 C6 B:FN0902 3.3 48.7 1.0 HG2 B:MET694 3.3 20.0 1.0 O2 B:FN0902 3.5 48.7 1.0 CB B:MET694 3.5 20.0 1.0 HE2 B:MET694 3.5 20.0 1.0 HB3 B:MET694 3.5 20.0 1.0 O B:LYS690 3.6 0.1 1.0 C9 B:FN0902 3.8 48.7 1.0 CG B:MET694 3.9 20.0 1.0 O3 B:FN0902 4.0 48.7 1.0 CA B:TYR691 4.2 0.4 1.0 CE B:MET694 4.2 20.0 1.0 HE3 B:MET694 4.3 20.0 1.0 C B:LYS690 4.3 0.1 1.0 C2 B:FN0902 4.4 48.7 1.0 N B:TYR691 4.6 0.4 1.0 SD B:MET694 4.7 20.0 1.0 HG3 B:MET694 4.7 20.0 1.0 C4 B:FN0902 4.7 48.7 1.0 HB3 B:LYS690 4.8 20.0 1.0 O B:TYR691 4.8 0.4 1.0 C B:TYR691 4.8 0.4 1.0 CA B:MET694 4.8 0.2 1.0 HG2 B:LYS690 4.9 20.0 1.0 N B:MET694 4.9 0.2 1.0 C8 B:FN0902 4.9 48.7 1.0

Fluorine binding site 2 out of 3 in the Cryo-Em Structure of Human Gaba(B) Receptor Bound to the Positive Allosteric Modulator Rac-Bhff


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em Structure of Human Gaba(B) Receptor Bound to the Positive Allosteric Modulator Rac-Bhff within 5.0Å range: probe atom residue distance (Å) B Occ B:F902 b:48.7 occ:1.00 F2 B:FN0902 0.0 48.7 1.0 C17 B:FN0902 1.3 48.7 1.0 F1 B:FN0902 2.1 48.7 1.0 F3 B:FN0902 2.1 48.7 1.0 C7 B:FN0902 2.4 48.7 1.0 C13 B:FN0902 2.6 48.7 1.0 HA B:TYR691 2.6 0.4 1.0 O2 B:FN0902 3.0 48.7 1.0 O3 B:FN0902 3.1 48.7 1.0 CD1 B:TYR691 3.4 30.0 1.0 CA B:TYR691 3.4 0.4 1.0 CG B:TYR691 3.5 30.0 1.0 O1 B:FN0902 3.5 48.7 1.0 HD1 B:TYR691 3.5 30.0 1.0 HB3 B:LYS690 3.6 20.0 1.0 N B:TYR691 3.6 0.4 1.0 HZ1 A:LYS792 3.7 30.0 1.0 O B:LYS690 3.8 0.1 1.0 C5 B:FN0902 3.8 48.7 1.0 CE1 B:TYR691 3.8 30.0 1.0 C B:LYS690 3.8 0.1 1.0 CB B:TYR691 4.0 30.0 1.0 CD2 B:TYR691 4.0 30.0 1.0 H B:TYR691 4.1 0.4 1.0 HE1 B:TYR691 4.2 30.0 1.0 C6 B:FN0902 4.2 48.7 1.0 CZ B:TYR691 4.3 30.0 1.0 CE2 B:TYR691 4.4 30.0 1.0 HB3 B:TYR691 4.4 30.0 1.0 NZ A:LYS792 4.4 30.0 1.0 HZ3 A:LYS792 4.4 30.0 1.0 HD2 B:TYR691 4.5 30.0 1.0 CB B:LYS690 4.5 20.0 1.0 HG2 B:LYS690 4.5 20.0 1.0 HB2 B:MET694 4.6 20.0 1.0 HZ2 A:LYS792 4.6 30.0 1.0 C B:TYR691 4.6 0.4 1.0 HB2 B:TYR691 4.8 30.0 1.0 CA B:LYS690 4.8 0.1 1.0 C9 B:FN0902 4.8 48.7 1.0 O B:TYR691 5.0 0.4 1.0 HE2 B:TYR691 5.0 30.0 1.0 HD3 B:LYS690 5.0 20.0 1.0

Fluorine binding site 3 out of 3 in the Cryo-Em Structure of Human Gaba(B) Receptor Bound to the Positive Allosteric Modulator Rac-Bhff


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryo-Em Structure of Human Gaba(B) Receptor Bound to the Positive Allosteric Modulator Rac-Bhff within 5.0Å range: probe atom residue distance (Å) B Occ B:F902 b:48.7 occ:1.00 F3 B:FN0902 0.0 48.7 1.0 C17 B:FN0902 1.3 48.7 1.0 F1 B:FN0902 2.1 48.7 1.0 F2 B:FN0902 2.1 48.7 1.0 C7 B:FN0902 2.4 48.7 1.0 O2 B:FN0902 2.6 48.7 1.0 HG2 B:LYS690 3.3 20.0 1.0 C5 B:FN0902 3.4 48.7 1.0 HB3 B:LYS690 3.6 20.0 1.0 C13 B:FN0902 3.6 48.7 1.0 HE2 B:MET694 3.7 20.0 1.0 O B:LYS690 3.8 0.1 1.0 HZ1 A:LYS792 3.8 30.0 1.0 C9 B:FN0902 3.9 48.7 1.0 HD3 B:LYS690 4.1 20.0 1.0 HA B:TYR691 4.1 0.4 1.0 CG B:LYS690 4.1 20.0 1.0 C B:LYS690 4.1 0.1 1.0 HB2 B:MET694 4.2 20.0 1.0 CB B:LYS690 4.2 20.0 1.0 O1 B:FN0902 4.4 48.7 1.0 C6 B:FN0902 4.4 48.7 1.0 O3 B:FN0902 4.4 48.7 1.0 CD B:LYS690 4.6 20.0 1.0 N B:TYR691 4.6 0.4 1.0 CE B:MET694 4.7 20.0 1.0 NZ A:LYS792 4.7 30.0 1.0 CA B:LYS690 4.7 0.1 1.0 HE2 B:LYS690 4.7 20.0 1.0 HD2 A:LYS792 4.8 30.0 1.0 CA B:TYR691 4.8 0.4 1.0 HG2 B:MET694 4.9 20.0 1.0 HG3 B:LYS690 4.9 20.0 1.0 HZ3 A:LYS792 4.9 30.0 1.0 HA B:LYS690 4.9 0.1 1.0 HE3 B:MET694 4.9 20.0 1.0 HD1 B:TYR691 4.9 30.0 1.0

Y.Kim, E.Jeong, J.H.Jeong, Y.Kim, Y.Cho. Structural Basis For Activation of the Heterodimeric Gaba B Receptor. J.Mol.Biol. V. 432 5966 2020.
ISSN: ESSN 1089-8638
PubMed: 33058878
DOI: 10.1016/J.JMB.2020.09.023