Fluorine in PDB 3gww: Leucine Transporter Leut in Complex with S-Fluoxetine

The structure of Leucine Transporter Leut in Complex with S-Fluoxetine, PDB code: 3gww 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)	27.28 / 2.46
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	86.353, 86.284, 80.624, 90.00, 95.16, 90.00
R / Rfree (%)	20.4 / 22.6

The structure of Leucine Transporter Leut in Complex with S-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 S-Fluoxetine (pdb code 3gww). 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 S-Fluoxetine, PDB code: 3gww:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Leucine Transporter Leut in Complex with S-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 S-Fluoxetine within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:55.0 occ:1.00 F15 A:SFX801 0.0 55.0 1.0 C12 A:SFX801 1.3 55.3 1.0 F14 A:SFX801 2.1 55.7 1.0 F13 A:SFX801 2.2 55.5 1.0 C9 A:SFX801 2.3 55.2 1.0 C10 A:SFX801 2.9 54.9 1.0 C8 A:SFX801 3.3 55.0 1.0 CB A:LEU25 3.4 34.8 1.0 CD1 A:LEU29 3.7 35.5 1.0 CD1 A:LEU25 4.1 34.5 1.0 O A:LEU25 4.1 34.9 1.0 CB A:LEU29 4.1 36.7 1.0 CD1 A:ILE111 4.2 31.9 1.0 C A:LEU25 4.2 34.9 1.0 CG2 A:ILE111 4.2 32.0 1.0 C11 A:SFX801 4.2 55.0 1.0 CG A:LEU25 4.3 35.2 1.0 CA A:LEU25 4.4 35.0 1.0 CE1 A:PHE320 4.4 48.2 1.0 CG A:LEU29 4.5 36.5 1.0 C7 A:SFX801 4.5 55.0 1.0 N A:GLY26 4.8 34.8 1.0 C6 A:SFX801 4.9 55.3 1.0 CB A:ILE111 4.9 32.4 1.0 CE1 A:TYR108 4.9 33.3 1.0

Fluorine binding site 2 out of 3 in the Leucine Transporter Leut in Complex with S-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 S-Fluoxetine within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:55.5 occ:1.00 F13 A:SFX801 0.0 55.5 1.0 C12 A:SFX801 1.3 55.3 1.0 F14 A:SFX801 2.2 55.7 1.0 F15 A:SFX801 2.2 55.0 1.0 C9 A:SFX801 2.3 55.2 1.0 C10 A:SFX801 2.9 54.9 1.0 C8 A:SFX801 3.4 55.0 1.0 N A:GLY26 3.5 34.8 1.0 C A:LEU25 3.5 34.9 1.0 O A:LEU25 3.5 34.9 1.0 CA A:GLY26 3.6 34.7 1.0 CE2 A:PHE253 3.7 34.4 1.0 CB A:ARG30 3.7 38.7 1.0 CB A:LEU25 3.8 34.8 1.0 CZ A:PHE253 3.9 34.7 1.0 C11 A:SFX801 4.2 55.0 1.0 N A:ARG30 4.2 38.0 1.0 CA A:LEU25 4.3 35.0 1.0 CG A:ARG30 4.4 38.9 1.0 NH1 A:ARG30 4.4 39.0 1.0 CD A:ARG30 4.5 39.4 1.0 CA A:ARG30 4.5 38.6 1.0 C7 A:SFX801 4.6 55.0 1.0 CE1 A:TYR108 4.6 33.3 1.0 CB A:LEU29 4.6 36.7 1.0 CD2 A:PHE253 4.7 34.5 1.0 C A:GLY26 4.8 34.5 1.0 C6 A:SFX801 4.9 55.3 1.0 O A:LEU601 4.9 31.6 1.0

Fluorine binding site 3 out of 3 in the Leucine Transporter Leut in Complex with S-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 S-Fluoxetine within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:55.7 occ:1.00 F14 A:SFX801 0.0 55.7 1.0 C12 A:SFX801 1.3 55.3 1.0 F15 A:SFX801 2.1 55.0 1.0 F13 A:SFX801 2.2 55.5 1.0 C9 A:SFX801 2.3 55.2 1.0 C8 A:SFX801 2.7 55.0 1.0 CE1 A:TYR108 3.4 33.3 1.0 CD1 A:TYR108 3.5 33.0 1.0 C10 A:SFX801 3.6 54.9 1.0 CZ A:PHE253 3.7 34.7 1.0 CB A:LEU25 4.0 34.8 1.0 CD1 A:ILE111 4.1 31.9 1.0 C7 A:SFX801 4.1 55.0 1.0 CE2 A:PHE253 4.2 34.4 1.0 CD1 A:LEU25 4.3 34.5 1.0 CZ A:TYR108 4.5 33.5 1.0 CG A:TYR108 4.7 32.6 1.0 C11 A:SFX801 4.7 55.0 1.0 CG A:LEU25 4.8 35.2 1.0 NH1 A:ARG30 4.8 39.0 1.0 CE1 A:PHE253 4.8 35.1 1.0 C A:LEU25 4.8 34.9 1.0 CE1 A:TYR107 4.8 32.2 1.0 N A:GLY26 4.9 34.8 1.0 C6 A:SFX801 4.9 55.3 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