Fluorine in PDB 7ry3: Multidrug Efflux Pump Adej with Tp-6076 Bound

The binding sites of Fluorine atom in the Multidrug Efflux Pump Adej with Tp-6076 Bound (pdb code 7ry3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Multidrug Efflux Pump Adej with Tp-6076 Bound, PDB code: 7ry3:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Multidrug Efflux Pump Adej with Tp-6076 Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Multidrug Efflux Pump Adej with Tp-6076 Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:F1101 b:30.0 occ:1.00 F23 C:80P1101 0.0 30.0 1.0 C22 C:80P1101 1.3 30.0 1.0 F24 C:80P1101 2.0 30.0 1.0 F25 C:80P1101 2.1 30.0 1.0 C16 C:80P1101 2.6 30.0 1.0 H181 C:80P1101 2.6 30.0 1.0 H182 C:80P1101 2.6 30.0 1.0 C18 C:80P1101 2.9 30.0 1.0 C17 C:80P1101 3.1 30.0 1.0 CD2 C:PHE178 3.3 85.0 1.0 CE1 C:PHE611 3.4 104.4 1.0 CE2 C:PHE178 3.8 85.0 1.0 CZ C:PHE611 3.8 104.4 1.0 C15 C:80P1101 3.8 30.0 1.0 CD1 C:PHE611 3.8 104.4 1.0 H271 C:80P1101 4.0 30.0 1.0 CG2 C:VAL613 4.1 109.6 1.0 CG C:PHE178 4.1 85.0 1.0 H261 C:80P1101 4.2 30.0 1.0 C26 C:80P1101 4.4 30.0 1.0 C12 C:80P1101 4.4 30.0 1.0 C19 C:80P1101 4.4 30.0 1.0 CB C:PHE178 4.5 85.0 1.0 CE2 C:PHE611 4.5 104.4 1.0 CG C:PHE611 4.6 104.4 1.0 N27 C:80P1101 4.6 30.0 1.0 H201 C:80P1101 4.6 30.0 1.0 CA C:GLY288 4.7 86.6 1.0 H191 C:80P1101 4.8 30.0 1.0 H413 C:80P1101 4.8 30.0 1.0 CZ C:PHE178 4.8 85.0 1.0 CD2 C:PHE611 4.9 104.4 1.0 N C:GLY288 4.9 86.6 1.0 C20 C:80P1101 5.0 30.0 1.0

Fluorine binding site 2 out of 3 in the Multidrug Efflux Pump Adej with Tp-6076 Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Multidrug Efflux Pump Adej with Tp-6076 Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:F1101 b:30.0 occ:1.00 F24 C:80P1101 0.0 30.0 1.0 C22 C:80P1101 1.3 30.0 1.0 F23 C:80P1101 2.0 30.0 1.0 F25 C:80P1101 2.1 30.0 1.0 H271 C:80P1101 2.1 30.0 1.0 C16 C:80P1101 2.4 30.0 1.0 N27 C:80P1101 2.8 30.0 1.0 CD1 C:PHE611 2.9 104.4 1.0 C15 C:80P1101 3.1 30.0 1.0 H261 C:80P1101 3.1 30.0 1.0 C26 C:80P1101 3.1 30.0 1.0 CE1 C:PHE611 3.2 104.4 1.0 CG C:PHE611 3.3 104.4 1.0 C17 C:80P1101 3.6 30.0 1.0 H182 C:80P1101 3.8 30.0 1.0 CZ C:PHE611 3.8 104.4 1.0 CB C:PHE611 3.8 104.4 1.0 CD2 C:PHE611 3.8 104.4 1.0 H282 C:80P1101 3.9 30.0 1.0 C28 C:80P1101 4.0 30.0 1.0 C18 C:80P1101 4.1 30.0 1.0 CE2 C:PHE611 4.1 104.4 1.0 H181 C:80P1101 4.2 30.0 1.0 CD2 C:PHE629 4.4 109.9 1.0 C14 C:80P1101 4.4 30.0 1.0 H281 C:80P1101 4.5 30.0 1.0 CG2 C:VAL613 4.6 109.6 1.0 C30 C:80P1101 4.6 30.0 1.0 CE2 C:PHE629 4.7 109.9 1.0 C12 C:80P1101 4.7 30.0 1.0 CE2 C:PHE178 4.9 85.0 1.0 CD2 C:PHE178 4.9 85.0 1.0 C C:PHE611 4.9 104.4 1.0 O C:PHE611 4.9 104.4 1.0 C29 C:80P1101 5.0 30.0 1.0

Fluorine binding site 3 out of 3 in the Multidrug Efflux Pump Adej with Tp-6076 Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Multidrug Efflux Pump Adej with Tp-6076 Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:F1101 b:30.0 occ:1.00 F25 C:80P1101 0.0 30.0 1.0 C22 C:80P1101 1.3 30.0 1.0 F24 C:80P1101 2.1 30.0 1.0 F23 C:80P1101 2.1 30.0 1.0 H261 C:80P1101 2.5 30.0 1.0 C16 C:80P1101 2.5 30.0 1.0 H271 C:80P1101 3.1 30.0 1.0 C26 C:80P1101 3.1 30.0 1.0 CE2 C:PHE178 3.1 85.0 1.0 C15 C:80P1101 3.1 30.0 1.0 CD2 C:PHE178 3.3 85.0 1.0 N27 C:80P1101 3.5 30.0 1.0 CG1 C:VAL139 3.6 75.7 1.0 C17 C:80P1101 3.7 30.0 1.0 H181 C:80P1101 3.9 30.0 1.0 CZ C:PHE611 4.1 104.4 1.0 CE1 C:PHE611 4.2 104.4 1.0 CA C:GLY288 4.2 86.6 1.0 H282 C:80P1101 4.2 30.0 1.0 CZ C:PHE178 4.2 85.0 1.0 CE2 C:PHE611 4.2 104.4 1.0 C18 C:80P1101 4.3 30.0 1.0 CD1 C:PHE611 4.3 104.4 1.0 H182 C:80P1101 4.3 30.0 1.0 CD2 C:PHE611 4.4 104.4 1.0 C28 C:80P1101 4.4 30.0 1.0 CG C:PHE611 4.4 104.4 1.0 C30 C:80P1101 4.5 30.0 1.0 C14 C:80P1101 4.5 30.0 1.0 CG C:PHE178 4.6 85.0 1.0 CB C:VAL139 4.7 75.7 1.0 H301 C:80P1101 4.8 30.0 1.0 C C:GLY288 4.8 86.6 1.0 H292 C:80P1101 4.9 30.0 1.0 C12 C:80P1101 4.9 30.0 1.0 C29 C:80P1101 4.9 30.0 1.0 N C:GLY288 5.0 86.6 1.0

C.E.Morgan, Z.Zhang, R.A.Bonomo, E.W.Yu. An Analysis of the Novel Fluorocycline Tp-6076 Bound to Both the Ribosome and Multidrug Efflux Pump Adej From Acinetobacter Baumannii. Mbio V. 13 73221 2022.
ISSN: ESSN 2150-7511
PubMed: 35100868
DOI: 10.1128/MBIO.03732-21