Atomistry » Fluorine » PDB 3gww-3hkw » 3gww
Atomistry »
  Fluorine »
    PDB 3gww-3hkw »
      3gww »

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

Protein crystallography data

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

Other elements in 3gww:

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

Sodium (Na) 2 atoms

Fluorine Binding Sites:

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 3gww

Go back to Fluorine Binding Sites List in 3gww
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 3gww

Go back to Fluorine Binding Sites List in 3gww
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 3gww

Go back to Fluorine Binding Sites List in 3gww
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

Reference:

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
Page generated: Sun Dec 13 11:47:20 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy