Fluorine in PDB 6qee: Nanodisc Reconstituted Human-Mouse Chimeric ABCB1 (ABCB1HM)-Eq Mutant in Complex with UIC2 Fab and Zosuquidar.

The binding sites of Fluorine atom in the Nanodisc Reconstituted Human-Mouse Chimeric ABCB1 (ABCB1HM)-Eq Mutant in Complex with UIC2 Fab and Zosuquidar. (pdb code 6qee). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Nanodisc Reconstituted Human-Mouse Chimeric ABCB1 (ABCB1HM)-Eq Mutant in Complex with UIC2 Fab and Zosuquidar., PDB code: 6qee:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Nanodisc Reconstituted Human-Mouse Chimeric ABCB1 (ABCB1HM)-Eq Mutant in Complex with UIC2 Fab and Zosuquidar.


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-Mouse Chimeric ABCB1 (ABCB1HM)-Eq Mutant in Complex with UIC2 Fab and Zosuquidar. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1404 b:59.4 occ:1.00 F01 A:ZQU1404 0.0 59.4 1.0 C03 A:ZQU1404 1.4 59.4 1.0 F02 A:ZQU1404 2.2 59.4 1.0 C02 A:ZQU1404 2.5 59.4 1.0 C01 A:ZQU1404 2.5 59.4 1.0 C05 A:ZQU1404 2.8 59.4 1.0 C04 A:ZQU1404 2.9 59.4 1.0 C10 A:ZQU1404 3.1 59.4 1.0 C09 A:ZQU1404 3.3 59.4 1.0 CG2 A:ILE339 3.4 35.5 1.0 CB A:LEU338 3.7 33.6 1.0 C08 A:ZQU1404 3.7 59.4 1.0 CG A:LEU338 3.8 33.6 1.0 N A:ILE339 3.8 35.5 1.0 C07 A:ZQU1404 3.8 59.4 1.0 CD2 A:LEU338 3.8 33.6 1.0 C A:LEU338 3.9 33.6 1.0 CA A:ILE339 4.0 35.5 1.0 CD2 A:PHE342 4.1 44.1 1.0 O A:LEU338 4.1 33.6 1.0 C18 A:ZQU1404 4.2 59.4 1.0 CB A:ILE339 4.3 35.5 1.0 C06 A:ZQU1404 4.4 59.4 1.0 C17 A:ZQU1404 4.4 59.4 1.0 CA A:LEU338 4.5 33.6 1.0 CE2 A:PHE342 4.6 44.1 1.0 C14 A:ZQU1404 4.6 59.4 1.0 C13 A:ZQU1404 4.8 59.4 1.0 O A:PHE335 4.8 27.6 1.0 C20 A:ZQU1404 4.9 59.4 1.0 OH A:TYR309 5.0 34.5 1.0

Fluorine binding site 2 out of 4 in the Nanodisc Reconstituted Human-Mouse Chimeric ABCB1 (ABCB1HM)-Eq Mutant in Complex with UIC2 Fab and Zosuquidar.


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-Mouse Chimeric ABCB1 (ABCB1HM)-Eq Mutant in Complex with UIC2 Fab and Zosuquidar. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1404 b:59.4 occ:1.00 F02 A:ZQU1404 0.0 59.4 1.0 C03 A:ZQU1404 1.4 59.4 1.0 F01 A:ZQU1404 2.2 59.4 1.0 C02 A:ZQU1404 2.5 59.4 1.0 C01 A:ZQU1404 2.5 59.4 1.0 CE2 A:PHE342 3.1 44.1 1.0 CD2 A:LEU338 3.3 33.6 1.0 CD2 A:PHE342 3.3 44.1 1.0 CG A:LEU338 3.4 33.6 1.0 C05 A:ZQU1404 3.7 59.4 1.0 C04 A:ZQU1404 3.8 59.4 1.0 OH A:TYR309 3.8 34.5 1.0 C10 A:ZQU1404 4.0 59.4 1.0 CB A:LEU338 4.2 33.6 1.0 C09 A:ZQU1404 4.2 59.4 1.0 CZ A:PHE342 4.3 44.1 1.0 CD1 A:ILE305 4.3 39.9 1.0 CG1 A:ILE305 4.4 39.9 1.0 CE1 A:TYR309 4.5 34.5 1.0 CG2 A:ILE305 4.5 39.9 1.0 CG A:PHE342 4.5 44.1 1.0 CD1 A:LEU338 4.5 33.6 1.0 CZ A:TYR309 4.6 34.5 1.0 O A:LEU338 4.8 33.6 1.0 C08 A:ZQU1404 4.8 59.4 1.0 C A:LEU338 4.8 33.6 1.0 C07 A:ZQU1404 4.9 59.4 1.0

Fluorine binding site 3 out of 4 in the Nanodisc Reconstituted Human-Mouse Chimeric ABCB1 (ABCB1HM)-Eq Mutant in Complex with UIC2 Fab and Zosuquidar.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Nanodisc Reconstituted Human-Mouse Chimeric ABCB1 (ABCB1HM)-Eq Mutant in Complex with UIC2 Fab and Zosuquidar. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1405 b:59.4 occ:1.00 F01 A:ZQU1405 0.0 59.4 1.0 C03 A:ZQU1405 1.4 59.4 1.0 F02 A:ZQU1405 2.2 59.4 1.0 C02 A:ZQU1405 2.5 59.4 1.0 C01 A:ZQU1405 2.5 59.4 1.0 C05 A:ZQU1405 2.9 59.4 1.0 C04 A:ZQU1405 2.9 59.4 1.0 C10 A:ZQU1405 3.1 59.4 1.0 C09 A:ZQU1405 3.2 59.4 1.0 NE1 A:TRP231 3.2 59.3 1.0 CD1 A:TRP231 3.6 59.3 1.0 C08 A:ZQU1405 3.8 59.4 1.0 C07 A:ZQU1405 3.8 59.4 1.0 CE2 A:TRP231 4.2 59.3 1.0 C18 A:ZQU1405 4.2 59.4 1.0 C17 A:ZQU1405 4.2 59.4 1.0 C06 A:ZQU1405 4.5 59.4 1.0 CE1 A:PHE302 4.6 46.3 1.0 CG A:TRP231 4.7 59.3 1.0 C14 A:ZQU1405 4.7 59.4 1.0 C13 A:ZQU1405 4.7 59.4 1.0 CZ2 A:TRP231 4.8 59.3 1.0 C20 A:ZQU1405 4.9 59.4 1.0 C19 A:ZQU1405 4.9 59.4 1.0 CD1 A:ILE305 4.9 39.9 1.0 CD2 A:TRP231 5.0 59.3 1.0

Fluorine binding site 4 out of 4 in the Nanodisc Reconstituted Human-Mouse Chimeric ABCB1 (ABCB1HM)-Eq Mutant in Complex with UIC2 Fab and Zosuquidar.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Nanodisc Reconstituted Human-Mouse Chimeric ABCB1 (ABCB1HM)-Eq Mutant in Complex with UIC2 Fab and Zosuquidar. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1405 b:59.4 occ:1.00 F02 A:ZQU1405 0.0 59.4 1.0 C03 A:ZQU1405 1.4 59.4 1.0 F01 A:ZQU1405 2.2 59.4 1.0 C01 A:ZQU1405 2.5 59.4 1.0 C02 A:ZQU1405 2.5 59.4 1.0 CD1 A:ILE305 3.3 39.9 1.0 C04 A:ZQU1405 3.7 59.4 1.0 C05 A:ZQU1405 3.7 59.4 1.0 C01 A:ZQU1404 4.0 59.4 1.0 C09 A:ZQU1405 4.0 59.4 1.0 C10 A:ZQU1405 4.1 59.4 1.0 CE2 A:PHE342 4.2 44.1 1.0 CD2 A:PHE342 4.2 44.1 1.0 C04 A:ZQU1404 4.4 59.4 1.0 CE1 A:PHE302 4.5 46.3 1.0 CG1 A:ILE305 4.6 39.9 1.0 C09 A:ZQU1404 4.6 59.4 1.0 C07 A:ZQU1405 4.9 59.4 1.0 C08 A:ZQU1405 4.9 59.4 1.0

A.Alam, J.Kowal, E.Broude, I.Roninson, K.P.Locher. Structural Insight Into Substrate and Inhibitor Discrimination By Human P-Glycoprotein. Science V. 363 753 2019.
ISSN: ESSN 1095-9203
PubMed: 30765569
DOI: 10.1126/SCIENCE.AAV7102