Fluorine in PDB 3gwv: Leucine Transporter Leut in Complex with R-Fluoxetine

The structure of Leucine Transporter Leut in Complex with R-Fluoxetine, PDB code: 3gwv was solved by Z.Zhou, J.Zhen, N.K.Karpowich, C.J.Law, M.E.A.Reith, D.N.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.35
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	87.813, 87.390, 81.154, 90.00, 95.67, 90.00
R / Rfree (%)	20.1 / 23.2

The structure of Leucine Transporter Leut in Complex with R-Fluoxetine also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Fluorine atom in the Leucine Transporter Leut in Complex with R-Fluoxetine (pdb code 3gwv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Leucine Transporter Leut in Complex with R-Fluoxetine, PDB code: 3gwv:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Leucine Transporter Leut in Complex with R-Fluoxetine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Leucine Transporter Leut in Complex with R-Fluoxetine within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:58.1 occ:1.00 F14 A:RFX801 0.0 58.1 1.0 C12 A:RFX801 1.3 58.3 1.0 F15 A:RFX801 2.1 57.3 1.0 F13 A:RFX801 2.2 57.2 1.0 C9 A:RFX801 2.3 58.5 1.0 C8 A:RFX801 2.9 58.8 1.0 C A:LEU25 3.4 27.5 1.0 C10 A:RFX801 3.4 59.1 1.0 O A:LEU25 3.4 28.2 1.0 N A:GLY26 3.5 27.7 1.0 CB A:LEU25 3.6 26.9 1.0 CB A:ARG30 3.7 30.9 1.0 CA A:GLY26 3.7 28.0 1.0 CE2 A:PHE253 3.9 27.1 1.0 CZ A:PHE253 3.9 27.1 1.0 CA A:LEU25 4.1 27.3 1.0 N A:ARG30 4.2 30.4 1.0 C7 A:RFX801 4.2 59.4 1.0 CB A:LEU29 4.3 29.4 1.0 CG A:ARG30 4.4 32.0 1.0 CA A:ARG30 4.5 30.7 1.0 C11 A:RFX801 4.6 59.7 1.0 CD A:ARG30 4.6 34.5 1.0 CE1 A:TYR108 4.7 21.6 1.0 CG A:LEU25 4.9 27.2 1.0 CD1 A:LEU29 4.9 28.2 1.0 C A:GLY26 4.9 27.9 1.0 CD1 A:LEU25 4.9 27.1 1.0 C6 A:RFX801 4.9 60.0 1.0 CD2 A:PHE253 5.0 26.5 1.0 C A:LEU29 5.0 29.9 1.0 O A:HOH970 5.0 51.1 1.0

Fluorine binding site 2 out of 3 in the Leucine Transporter Leut in Complex with R-Fluoxetine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Leucine Transporter Leut in Complex with R-Fluoxetine within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:57.3 occ:1.00 F15 A:RFX801 0.0 57.3 1.0 C12 A:RFX801 1.3 58.3 1.0 F14 A:RFX801 2.1 58.1 1.0 F13 A:RFX801 2.1 57.2 1.0 C9 A:RFX801 2.3 58.5 1.0 C10 A:RFX801 2.7 59.1 1.0 CE1 A:TYR108 3.5 21.6 1.0 C8 A:RFX801 3.6 58.8 1.0 CB A:LEU25 3.6 26.9 1.0 CD1 A:TYR108 3.7 20.6 1.0 CD1 A:LEU25 3.8 27.1 1.0 CZ A:PHE253 3.9 27.1 1.0 C11 A:RFX801 4.1 59.7 1.0 CD1 A:ILE111 4.1 23.7 1.0 CG A:LEU25 4.4 27.2 1.0 CE2 A:PHE253 4.5 27.1 1.0 CZ A:TYR108 4.5 22.2 1.0 C A:LEU25 4.7 27.5 1.0 CG A:TYR108 4.7 21.5 1.0 C7 A:RFX801 4.8 59.4 1.0 CA A:LEU25 4.8 27.3 1.0 N A:GLY26 4.8 27.7 1.0 CG2 A:ILE111 4.9 23.3 1.0 CE1 A:PHE253 4.9 27.3 1.0 C6 A:RFX801 4.9 60.0 1.0 OH A:TYR108 5.0 23.8 1.0

Fluorine binding site 3 out of 3 in the Leucine Transporter Leut in Complex with R-Fluoxetine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Leucine Transporter Leut in Complex with R-Fluoxetine within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:57.2 occ:1.00 F13 A:RFX801 0.0 57.2 1.0 C12 A:RFX801 1.3 58.3 1.0 F15 A:RFX801 2.1 57.3 1.0 F14 A:RFX801 2.2 58.1 1.0 C9 A:RFX801 2.3 58.5 1.0 C8 A:RFX801 3.0 58.8 1.0 C10 A:RFX801 3.4 59.1 1.0 CD1 A:LEU29 3.5 28.2 1.0 CB A:LEU25 3.7 26.9 1.0 CB A:LEU29 3.9 29.4 1.0 CD1 A:LEU25 4.0 27.1 1.0 CE1 A:PHE320 4.0 38.2 1.0 CG2 A:ILE111 4.1 23.3 1.0 C7 A:RFX801 4.3 59.4 1.0 CD1 A:ILE111 4.3 23.7 1.0 CG A:LEU29 4.3 29.1 1.0 O A:LEU25 4.3 28.2 1.0 CG A:LEU25 4.5 27.2 1.0 C A:LEU25 4.5 27.5 1.0 C11 A:RFX801 4.5 59.7 1.0 CA A:LEU25 4.7 27.3 1.0 CZ A:PHE320 4.8 37.3 1.0 CD1 A:PHE320 4.9 38.0 1.0 CB A:ILE111 4.9 23.1 1.0 C6 A:RFX801 4.9 60.0 1.0

Z.Zhou, J.Zhen, N.K.Karpowich, C.J.Law, M.E.Reith, D.N.Wang. Antidepressant Specificity of Serotonin Transporter Suggested By Three Leut-Ssri Structures. Nat.Struct.Mol.Biol. V. 16 652 2009.
ISSN: ISSN 1545-9993
PubMed: 19430461
DOI: 10.1038/NSMB.1602