Fluorine in PDB 1t9u: Structural Basis of Multidrug Transport By the Acrb Multidrug Efflux Pump

The structure of Structural Basis of Multidrug Transport By the Acrb Multidrug Efflux Pump, PDB code: 1t9u was solved by E.W.Yu, G.Mcdermott, H.Nikaido, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	182.57 / 3.11
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	144.087, 144.087, 518.804, 90.00, 90.00, 120.00
R / Rfree (%)	26.5 / 33.5

The binding sites of Fluorine atom in the Structural Basis of Multidrug Transport By the Acrb Multidrug Efflux Pump (pdb code 1t9u). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structural Basis of Multidrug Transport By the Acrb Multidrug Efflux Pump, PDB code: 1t9u:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structural Basis of Multidrug Transport By the Acrb Multidrug Efflux Pump


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structural Basis of Multidrug Transport By the Acrb Multidrug Efflux Pump within 5.0Å range: probe atom residue distance (Å) B Occ A:F5001 b:0.8 occ:1.00 F1 A:CPF5001 0.0 0.8 1.0 C7 A:CPF5001 1.4 0.4 1.0 C6 A:CPF5001 2.3 0.6 1.0 C8 A:CPF5001 2.4 0.2 1.0 N2 A:CPF5001 2.8 1.0 1.0 C14 A:CPF5001 2.9 0.8 1.0 C5 A:CPF5001 3.6 0.3 1.0 C9 A:CPF5001 3.6 0.1 1.0 C15 A:CPF5001 3.9 0.7 1.0 CE2 A:PHE388 4.0 81.4 1.0 C10 A:CPF5001 4.1 0.7 1.0 C17 A:CPF5001 4.3 0.8 1.0 CZ A:PHE388 4.4 88.2 1.0 CZ A:PHE459 4.5 99.4 1.0 NH1 A:ARG468 4.8 98.9 1.0 CD A:ARG468 4.8 96.1 1.0 C4 A:CPF5001 4.8 0.7 1.0 O3 A:CPF5001 4.9 0.9 1.0

Fluorine binding site 2 out of 2 in the Structural Basis of Multidrug Transport By the Acrb Multidrug Efflux Pump


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structural Basis of Multidrug Transport By the Acrb Multidrug Efflux Pump within 5.0Å range: probe atom residue distance (Å) B Occ A:F5002 b:0.8 occ:1.00 F1 A:CPF5002 0.0 0.8 1.0 C7 A:CPF5002 1.4 0.4 1.0 C6 A:CPF5002 2.3 0.6 1.0 C8 A:CPF5002 2.4 0.2 1.0 CB A:PHE666 2.6 67.7 1.0 N2 A:CPF5002 2.8 1.0 1.0 C14 A:CPF5002 2.9 0.8 1.0 CA A:PHE666 3.4 68.4 1.0 C5 A:CPF5002 3.6 0.3 1.0 C9 A:CPF5002 3.6 0.1 1.0 CG A:PHE666 3.9 75.5 1.0 C15 A:CPF5002 3.9 0.7 1.0 N A:ASN667 4.0 75.3 1.0 C10 A:CPF5002 4.1 0.7 1.0 C A:PHE666 4.2 70.6 1.0 C17 A:CPF5002 4.3 0.8 1.0 OD1 A:ASN667 4.3 92.4 1.0 CD1 A:PHE666 4.5 75.9 1.0 N A:PHE666 4.5 70.3 1.0 C4 A:CPF5002 4.8 0.7 1.0 CD2 A:PHE666 4.8 79.7 1.0 CG A:ASN667 4.9 84.5 1.0 O3 A:CPF5002 4.9 0.9 1.0

E.W.Yu, J.R.Aires, G.Mcdermott, H.Nikaido. A Periplasmic Drug-Binding Site of the Acrb Multidrug Efflux Pump: A Crystallographic and Site-Directed Mutagenesis Study J.Bacteriol. V. 187 6804 2005.
ISSN: ISSN 0021-9193
PubMed: 16166543
DOI: 10.1128/JB.187.19.6804-6815.2005