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

Protein crystallography data

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

Other elements in 3gwv:

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

Fluorine (F) 3 atoms

Sodium Binding Sites:

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

Sodium binding site 1 out of 2 in 3gwv

Go back to Sodium Binding Sites List in 3gwv
Sodium binding site 1 out of 2 in the Leucine Transporter Leut in Complex with R-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 R-Fluoxetine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na701

b:24.6
occ:1.00
O A:VAL23 2.2 25.6 1.0
O A:GLY20 2.2 28.6 1.0
O A:ALA351 2.4 25.9 1.0
OG1 A:THR354 2.4 26.9 1.0
OG A:SER355 2.5 25.2 1.0
N A:SER355 3.0 26.3 1.0
C A:VAL23 3.1 25.7 1.0
CB A:SER355 3.3 25.5 1.0
C A:GLY20 3.4 28.6 1.0
CB A:THR354 3.4 26.7 1.0
C A:THR354 3.5 26.3 1.0
C A:ALA351 3.5 25.8 1.0
CA A:SER355 3.6 25.9 1.0
CA A:GLY24 3.6 26.3 1.0
N A:GLY24 3.7 26.1 1.0
CA A:THR354 3.8 26.4 1.0
CA A:ALA351 4.0 25.7 1.0
CA A:GLY20 4.1 28.5 1.0
O A:THR354 4.2 26.3 1.0
N A:THR354 4.2 26.3 1.0
O A:ASN21 4.2 27.8 1.0
CA A:VAL23 4.2 25.5 1.0
N A:VAL23 4.2 25.8 1.0
N A:ASN21 4.4 28.2 1.0
C A:ASN21 4.4 27.8 1.0
N A:GLY352 4.6 25.6 1.0
O A:PHE350 4.6 26.1 1.0
CG2 A:THR354 4.7 26.6 1.0
CA A:ASN21 4.7 28.3 1.0
O A:GLY352 4.7 25.9 1.0
C A:ALA22 4.8 26.1 1.0
CB A:VAL23 4.8 25.7 1.0
CB A:ALA351 4.8 25.6 1.0
C A:GLY352 4.8 26.2 1.0
CA A:GLY352 5.0 25.9 1.0

Sodium binding site 2 out of 2 in 3gwv

Go back to Sodium Binding Sites List in 3gwv
Sodium binding site 2 out of 2 in the Leucine Transporter Leut in Complex with R-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 R-Fluoxetine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na702

b:25.2
occ:1.00
O A:ALA22 2.2 25.9 1.0
OD1 A:ASN27 2.3 25.9 1.0
O A:THR254 2.4 27.2 1.0
OG1 A:THR254 2.4 26.4 1.0
OD1 A:ASN286 2.6 28.3 1.0
OXT A:LEU601 2.7 20.2 1.0
C A:THR254 3.2 27.1 1.0
C A:ALA22 3.2 26.1 1.0
CG A:ASN27 3.3 27.4 1.0
CA A:THR254 3.3 26.9 1.0
CB A:THR254 3.4 26.8 1.0
CG A:ASN286 3.5 29.5 1.0
C A:LEU601 3.6 20.4 1.0
ND2 A:ASN27 3.7 26.1 1.0
N A:LEU601 3.7 19.8 1.0
ND2 A:ASN286 3.8 28.1 1.0
N A:GLY24 3.8 26.1 1.0
CA A:VAL23 3.9 25.5 1.0
N A:VAL23 4.0 25.8 1.0
OE2 A:GLU290 4.0 32.4 1.0
CA A:LEU601 4.2 20.1 1.0
CA A:ALA22 4.2 26.2 1.0
N A:ASN27 4.3 27.8 1.0
C A:VAL23 4.4 25.7 1.0
N A:LEU255 4.5 27.2 1.0
O A:LEU601 4.5 20.8 1.0
CG2 A:THR254 4.5 26.4 1.0
CB A:ASN27 4.6 27.6 1.0
CB A:ALA22 4.6 25.8 1.0
N A:THR254 4.7 26.8 1.0
C A:GLY26 4.8 27.9 1.0
CA A:ASN27 4.8 28.0 1.0
O A:PHE253 4.8 26.2 1.0
CA A:GLY26 4.9 28.0 1.0
CB A:ASN286 4.9 30.4 1.0
CA A:GLY24 4.9 26.3 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: Tue Dec 15 06:12:51 2020

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