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Fluorine in PDB 6fn1: Zosuquidar and UIC2 Fab Complex of Human-Mouse Chimeric ABCB1 (ABCB1HM)

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Zosuquidar and UIC2 Fab Complex of Human-Mouse Chimeric ABCB1 (ABCB1HM) (pdb code 6fn1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Zosuquidar and UIC2 Fab Complex of Human-Mouse Chimeric ABCB1 (ABCB1HM), PDB code: 6fn1:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 6fn1

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Fluorine binding site 1 out of 4 in the Zosuquidar and UIC2 Fab Complex of Human-Mouse Chimeric ABCB1 (ABCB1HM)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Zosuquidar and UIC2 Fab Complex of Human-Mouse Chimeric ABCB1 (ABCB1HM) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1304

b:65.1
occ:1.00
F01 A:ZQU1304 0.0 65.1 1.0
C03 A:ZQU1304 1.4 65.1 1.0
F02 A:ZQU1304 2.2 65.1 1.0
C01 A:ZQU1304 2.5 65.1 1.0
C02 A:ZQU1304 2.5 65.1 1.0
C04 A:ZQU1304 2.9 65.1 1.0
C05 A:ZQU1304 3.0 65.1 1.0
C09 A:ZQU1304 3.1 65.1 1.0
CD2 A:LEU338 3.1 0.9 1.0
CG2 A:ILE339 3.4 0.2 1.0
C10 A:ZQU1304 3.4 65.1 1.0
CA A:ILE339 3.8 0.2 1.0
C07 A:ZQU1304 3.8 65.1 1.0
N A:ILE339 3.8 0.2 1.0
O A:LEU338 3.8 0.9 1.0
C08 A:ZQU1304 3.9 65.1 1.0
C A:LEU338 3.9 0.9 1.0
CB A:ILE339 4.1 0.2 1.0
C17 A:ZQU1304 4.2 65.1 1.0
CG A:LEU338 4.2 0.9 1.0
CB A:PHE342 4.4 0.0 1.0
C18 A:ZQU1304 4.5 65.1 1.0
C06 A:ZQU1304 4.5 65.1 1.0
CG A:PHE342 4.6 0.0 1.0
CB A:LEU338 4.6 0.9 1.0
F02 A:ZQU1305 4.7 64.3 1.0
C13 A:ZQU1304 4.7 65.1 1.0
CD2 A:PHE342 4.8 0.0 1.0
C14 A:ZQU1304 4.9 65.1 1.0
C19 A:ZQU1304 4.9 65.1 1.0
CA A:LEU338 4.9 0.9 1.0

Fluorine binding site 2 out of 4 in 6fn1

Go back to Fluorine Binding Sites List in 6fn1
Fluorine binding site 2 out of 4 in the Zosuquidar and UIC2 Fab Complex of Human-Mouse Chimeric ABCB1 (ABCB1HM)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Zosuquidar and UIC2 Fab Complex of Human-Mouse Chimeric ABCB1 (ABCB1HM) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1304

b:65.1
occ:1.00
F02 A:ZQU1304 0.0 65.1 1.0
C03 A:ZQU1304 1.4 65.1 1.0
F01 A:ZQU1304 2.2 65.1 1.0
C01 A:ZQU1304 2.5 65.1 1.0
C02 A:ZQU1304 2.5 65.1 1.0
CD2 A:LEU338 3.1 0.9 1.0
F02 A:ZQU1305 3.4 64.3 1.0
C04 A:ZQU1304 3.7 65.1 1.0
C05 A:ZQU1304 3.8 65.1 1.0
CG A:PHE342 3.8 0.0 1.0
CD2 A:PHE342 3.9 0.0 1.0
C09 A:ZQU1304 4.0 65.1 1.0
CD1 A:PHE342 4.1 0.0 1.0
CG2 A:ILE305 4.1 0.4 1.0
CE2 A:PHE342 4.2 0.0 1.0
CG A:LEU338 4.2 0.9 1.0
C10 A:ZQU1304 4.3 65.1 1.0
CE1 A:PHE342 4.3 0.0 1.0
CZ A:PHE342 4.3 0.0 1.0
CB A:PHE342 4.4 0.0 1.0
CB A:ILE305 4.6 0.4 1.0
O A:LEU338 4.6 0.9 1.0
C03 A:ZQU1305 4.7 64.3 1.0
C07 A:ZQU1304 4.9 65.1 1.0
CD1 A:ILE305 4.9 0.4 1.0
C08 A:ZQU1304 5.0 65.1 1.0

Fluorine binding site 3 out of 4 in 6fn1

Go back to Fluorine Binding Sites List in 6fn1
Fluorine binding site 3 out of 4 in the Zosuquidar and UIC2 Fab Complex of Human-Mouse Chimeric ABCB1 (ABCB1HM)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Zosuquidar and UIC2 Fab Complex of Human-Mouse Chimeric ABCB1 (ABCB1HM) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1305

b:64.3
occ:1.00
F01 A:ZQU1305 0.0 64.3 1.0
C03 A:ZQU1305 1.4 64.3 1.0
F02 A:ZQU1305 2.2 64.3 1.0
C02 A:ZQU1305 2.5 64.3 1.0
C01 A:ZQU1305 2.5 64.3 1.0
C04 A:ZQU1305 2.9 64.3 1.0
C05 A:ZQU1305 2.9 64.3 1.0
C09 A:ZQU1305 3.2 64.3 1.0
C10 A:ZQU1305 3.3 64.3 1.0
CD1 A:TRP231 3.3 0.2 1.0
NE1 A:TRP231 3.3 0.2 1.0
CE1 A:PHE342 3.8 0.0 1.0
CD1 A:PHE342 3.8 0.0 1.0
C07 A:ZQU1305 3.9 64.3 1.0
C08 A:ZQU1305 3.9 64.3 1.0
C17 A:ZQU1305 4.2 64.3 1.0
C18 A:ZQU1305 4.3 64.3 1.0
C06 A:ZQU1305 4.5 64.3 1.0
CG A:TRP231 4.6 0.2 1.0
CE2 A:TRP231 4.6 0.2 1.0
C13 A:ZQU1305 4.8 64.3 1.0
C14 A:ZQU1305 4.8 64.3 1.0
C19 A:ZQU1305 4.9 64.3 1.0
C20 A:ZQU1305 5.0 64.3 1.0

Fluorine binding site 4 out of 4 in 6fn1

Go back to Fluorine Binding Sites List in 6fn1
Fluorine binding site 4 out of 4 in the Zosuquidar and UIC2 Fab Complex of Human-Mouse Chimeric ABCB1 (ABCB1HM)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Zosuquidar and UIC2 Fab Complex of Human-Mouse Chimeric ABCB1 (ABCB1HM) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1305

b:64.3
occ:1.00
F02 A:ZQU1305 0.0 64.3 1.0
C03 A:ZQU1305 1.4 64.3 1.0
F01 A:ZQU1305 2.2 64.3 1.0
C01 A:ZQU1305 2.4 64.3 1.0
C02 A:ZQU1305 2.6 64.3 1.0
CD1 A:PHE342 3.0 0.0 1.0
C01 A:ZQU1304 3.2 65.1 1.0
CE1 A:PHE342 3.2 0.0 1.0
F02 A:ZQU1304 3.4 65.1 1.0
C04 A:ZQU1305 3.6 64.3 1.0
C03 A:ZQU1304 3.7 65.1 1.0
CG A:PHE342 3.8 0.0 1.0
C05 A:ZQU1305 3.8 64.3 1.0
C09 A:ZQU1304 3.8 65.1 1.0
C04 A:ZQU1304 3.9 65.1 1.0
C09 A:ZQU1305 3.9 64.3 1.0
CZ A:PHE342 4.2 0.0 1.0
C10 A:ZQU1305 4.3 64.3 1.0
C02 A:ZQU1304 4.4 65.1 1.0
CB A:PHE342 4.4 0.0 1.0
F01 A:ZQU1304 4.7 65.1 1.0
CD2 A:PHE342 4.7 0.0 1.0
CG2 A:ILE305 4.7 0.4 1.0
C07 A:ZQU1305 4.8 64.3 1.0
CE2 A:PHE342 4.9 0.0 1.0
C08 A:ZQU1305 5.0 64.3 1.0
C17 A:ZQU1304 5.0 65.1 1.0

Reference:

A.Alam, R.Kung, J.Kowal, R.A.Mcleod, N.Tremp, E.V.Broude, I.B.Roninson, H.Stahlberg, K.P.Locher. Structure of A Zosuquidar and UIC2-Bound Human-Mouse Chimeric ABCB1. Proc. Natl. Acad. Sci. V. 115 E1973 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29440498
DOI: 10.1073/PNAS.1717044115
Page generated: Sun Dec 13 12:50:20 2020

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