Fluorine in PDB 7niw: Nanodisc Reconstituted Human ABCB4 in Complex with 4B1-Fab (Posaconazole-Bound, Inward-Open Conformation)

All present enzymatic activity of Nanodisc Reconstituted Human ABCB4 in Complex with 4B1-Fab (Posaconazole-Bound, Inward-Open Conformation):
7.6.2.1;

The binding sites of Fluorine atom in the Nanodisc Reconstituted Human ABCB4 in Complex with 4B1-Fab (Posaconazole-Bound, Inward-Open Conformation) (pdb code 7niw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Nanodisc Reconstituted Human ABCB4 in Complex with 4B1-Fab (Posaconazole-Bound, Inward-Open Conformation), PDB code: 7niw:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Nanodisc Reconstituted Human ABCB4 in Complex with 4B1-Fab (Posaconazole-Bound, Inward-Open Conformation)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Nanodisc Reconstituted Human ABCB4 in Complex with 4B1-Fab (Posaconazole-Bound, Inward-Open Conformation) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1306 b:33.3 occ:1.00 FAE A:X2N1306 0.0 33.3 1.0 CBI A:X2N1306 1.4 33.3 1.0 CAG A:X2N1306 2.3 33.3 1.0 CAR A:X2N1306 2.4 33.3 1.0 CAV A:X2N1306 2.8 33.3 1.0 C2 A:X2N1306 2.9 33.3 1.0 CD2 A:LEU341 3.3 24.2 1.0 CBC A:X2N1306 3.5 33.3 1.0 CAP A:X2N1306 3.5 33.3 1.0 CBJ A:X2N1306 3.6 33.3 1.0 CZ A:PHE982 3.7 27.8 1.0 CE1 A:PHE982 3.9 27.8 1.0 CBO A:X2N1306 4.1 33.3 1.0 CG A:LEU341 4.1 24.2 1.0 OBH A:X2N1306 4.2 33.3 1.0 CG1 A:ILE342 4.2 16.4 1.0 C7 A:X2N1306 4.3 33.3 1.0 CE2 A:PHE982 4.3 27.8 1.0 CG A:PHE338 4.4 24.0 1.0 CD2 A:PHE338 4.5 24.0 1.0 CB A:LEU341 4.5 24.2 1.0 CB A:PHE338 4.6 24.0 1.0 FAF A:X2N1306 4.6 33.3 1.0 CD1 A:ILE342 4.7 16.4 1.0 CD1 A:PHE982 4.7 27.8 1.0 NBV A:X2N1306 4.7 33.3 1.0 O A:PHE338 4.7 24.0 1.0 CD1 A:PHE338 4.8 24.0 1.0 C32 A:X2N1306 4.9 33.3 1.0 CE2 A:PHE338 4.9 24.0 1.0 CA A:PHE338 5.0 24.0 1.0 CD2 A:PHE982 5.0 27.8 1.0

Fluorine binding site 2 out of 2 in the Nanodisc Reconstituted Human ABCB4 in Complex with 4B1-Fab (Posaconazole-Bound, Inward-Open Conformation)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Nanodisc Reconstituted Human ABCB4 in Complex with 4B1-Fab (Posaconazole-Bound, Inward-Open Conformation) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1306 b:33.3 occ:1.00 FAF A:X2N1306 0.0 33.3 1.0 CAP A:X2N1306 1.4 33.3 1.0 CAG A:X2N1306 2.3 33.3 1.0 CBO A:X2N1306 2.3 33.3 1.0 OH A:TYR952 2.5 30.4 1.0 CE A:MET75 2.9 53.8 1.0 CD1 A:ILE342 3.5 16.4 1.0 CBI A:X2N1306 3.6 33.3 1.0 CBJ A:X2N1306 3.6 33.3 1.0 CZ A:TYR952 3.7 30.4 1.0 SD A:MET75 3.8 53.8 1.0 CAR A:X2N1306 4.1 33.3 1.0 CD1 A:LEU71 4.2 39.2 1.0 CG A:MET75 4.3 53.8 1.0 CE2 A:TYR952 4.4 30.4 1.0 CE1 A:PHE982 4.4 27.8 1.0 CG1 A:ILE342 4.5 16.4 1.0 CZ A:PHE982 4.6 27.8 1.0 CE1 A:TYR952 4.6 30.4 1.0 FAE A:X2N1306 4.6 33.3 1.0

K.Nosol, R.Bang-Sorensen, R.N.Irobalieva, S.K.Erramilli, B.Stieger, A.A.Kossiakoff, K.P.Locher. Structures of ABCB4 Provide Insight Into Phosphatidylcholine Translocation. Proc.Natl.Acad.Sci.Usa V. 118 2021.
ISSN: ESSN 1091-6490
PubMed: 34385322
DOI: 10.1073/PNAS.2106702118