Sodium 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:

Fluorine

(F)

3 atoms

The binding sites of Sodium 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 Sodium atom.
In total 2 binding sites of Sodium where determined in the Leucine Transporter Leut in Complex with S-Fluoxetine, PDB code: 3gww:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Leucine Transporter Leut in Complex with S-Fluoxetine


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na 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:Na751 b:35.5 occ:1.00 O A:ALA22 2.2 35.1 1.0 OD1 A:ASN27 2.2 34.4 1.0 O A:THR254 2.2 35.3 1.0 OD1 A:ASN286 2.5 38.6 1.0 OG1 A:THR254 2.5 35.9 1.0 OXT A:LEU601 2.7 31.2 1.0 C A:THR254 3.1 35.4 1.0 C A:ALA22 3.2 35.2 1.0 CG A:ASN27 3.2 34.1 1.0 CA A:THR254 3.3 35.4 1.0 CG A:ASN286 3.4 40.5 1.0 CB A:THR254 3.5 35.5 1.0 ND2 A:ASN27 3.6 33.4 1.0 ND2 A:ASN286 3.7 39.5 1.0 C A:LEU601 3.7 31.6 1.0 N A:LEU601 3.7 32.0 1.0 N A:GLY24 3.9 34.8 1.0 N A:VAL23 3.9 35.0 1.0 CA A:VAL23 3.9 34.9 1.0 OE2 A:GLU290 4.1 47.1 1.0 CA A:ALA22 4.1 35.5 1.0 CA A:LEU601 4.3 31.9 1.0 N A:LEU255 4.3 35.4 1.0 N A:ASN27 4.4 34.4 1.0 C A:VAL23 4.4 34.9 1.0 CB A:ALA22 4.4 35.4 1.0 CB A:ASN27 4.5 34.2 1.0 CG2 A:THR254 4.5 35.1 1.0 O A:LEU601 4.6 31.6 1.0 N A:THR254 4.6 35.5 1.0 CA A:ASN27 4.8 34.4 1.0 CB A:ASN286 4.8 41.2 1.0 O A:PHE253 4.8 35.4 1.0 CA A:GLY24 4.9 34.7 1.0 C A:GLY26 4.9 34.5 1.0

Sodium binding site 2 out of 2 in the Leucine Transporter Leut in Complex with S-Fluoxetine


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na 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:Na752 b:35.2 occ:1.00 O A:VAL23 2.2 34.9 1.0 O A:ALA351 2.2 35.4 1.0 O A:GLY20 2.2 36.3 1.0 OG1 A:THR354 2.2 34.9 1.0 OG A:SER355 2.2 36.0 1.0 N A:SER355 3.0 35.5 1.0 C A:VAL23 3.2 34.9 1.0 CB A:SER355 3.2 35.5 1.0 CB A:THR354 3.3 35.2 1.0 C A:ALA351 3.4 35.7 1.0 C A:GLY20 3.4 36.8 1.0 C A:THR354 3.4 35.4 1.0 CA A:SER355 3.6 35.7 1.0 CA A:GLY24 3.6 34.7 1.0 CA A:THR354 3.7 35.2 1.0 N A:GLY24 3.8 34.8 1.0 N A:THR354 4.0 35.3 1.0 CA A:ALA351 4.0 35.9 1.0 CA A:GLY20 4.1 37.0 1.0 O A:THR354 4.1 35.5 1.0 O A:ASN21 4.2 36.2 1.0 O A:PHE350 4.3 36.6 1.0 CA A:VAL23 4.4 34.9 1.0 N A:GLY352 4.5 35.6 1.0 N A:ASN21 4.5 36.4 1.0 N A:VAL23 4.5 35.0 1.0 C A:ASN21 4.6 36.1 1.0 O A:GLY352 4.6 35.8 1.0 CG2 A:THR354 4.6 34.9 1.0 C A:GLY352 4.7 35.6 1.0 CA A:GLY352 4.8 35.6 1.0 CA A:ASN21 4.8 36.3 1.0 C A:ALA22 4.9 35.2 1.0 CB A:ALA351 4.9 35.8 1.0 CB A:VAL23 5.0 34.9 1.0 C A:GLY24 5.0 34.8 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