Sodium in PDB 2q72: Crystal Structure Analysis of Leut Complexed with L-Leucine, Sodium, and Imipramine

The structure of Crystal Structure Analysis of Leut Complexed with L-Leucine, Sodium, and Imipramine, PDB code: 2q72 was solved by S.K.Singh, A.Yamashita, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.43 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.000, 86.640, 81.130, 90.00, 95.76, 90.00
R / Rfree (%)	20.3 / 21.9

The binding sites of Sodium atom in the Crystal Structure Analysis of Leut Complexed with L-Leucine, Sodium, and Imipramine (pdb code 2q72). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure Analysis of Leut Complexed with L-Leucine, Sodium, and Imipramine, PDB code: 2q72:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure Analysis of Leut Complexed with L-Leucine, Sodium, and Imipramine


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure Analysis of Leut Complexed with L-Leucine, Sodium, and Imipramine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na751 b:23.0 occ:1.00 O A:VAL23 2.2 24.1 1.0 O A:GLY20 2.2 24.6 1.0 OG1 A:THR354 2.3 24.8 1.0 O A:ALA351 2.3 20.7 1.0 OG A:SER355 2.3 21.3 1.0 N A:SER355 2.9 22.2 1.0 C A:VAL23 3.2 23.3 1.0 CB A:SER355 3.3 20.5 1.0 CB A:THR354 3.3 24.5 1.0 C A:THR354 3.3 24.2 1.0 C A:GLY20 3.4 24.3 1.0 C A:ALA351 3.4 21.5 1.0 CA A:SER355 3.5 22.2 1.0 CA A:GLY24 3.7 22.9 1.0 CA A:THR354 3.7 23.9 1.0 N A:GLY24 3.8 23.2 1.0 O A:THR354 4.0 24.9 1.0 CA A:ALA351 4.0 23.1 1.0 N A:THR354 4.0 22.9 1.0 CA A:GLY20 4.0 26.3 1.0 O A:ASN21 4.3 22.4 1.0 CA A:VAL23 4.3 22.6 1.0 O A:PHE350 4.4 21.9 1.0 N A:VAL23 4.4 22.8 1.0 N A:ASN21 4.5 24.5 1.0 N A:GLY352 4.5 21.3 1.0 O A:GLY352 4.6 22.1 1.0 C A:ASN21 4.6 25.5 1.0 CG2 A:THR354 4.6 27.0 1.0 C A:GLY352 4.7 21.3 1.0 CA A:ASN21 4.8 24.4 1.0 CA A:GLY352 4.8 20.1 1.0 CB A:ALA351 4.8 22.9 1.0 C A:ALA22 4.9 23.3 1.0 CB A:VAL23 4.9 25.8 1.0 C A:SER355 5.0 22.1 1.0 C A:LEU353 5.0 23.1 1.0

Sodium binding site 2 out of 2 in the Crystal Structure Analysis of Leut Complexed with L-Leucine, Sodium, and Imipramine


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure Analysis of Leut Complexed with L-Leucine, Sodium, and Imipramine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na752 b:22.9 occ:1.00 O A:ALA22 2.2 21.8 1.0 O A:THR254 2.3 20.8 1.0 OD1 A:ASN27 2.3 23.2 1.0 OG1 A:THR254 2.5 23.4 1.0 OD1 A:ASN286 2.6 24.6 1.0 OXT A:LEU601 2.6 24.0 1.0 C A:THR254 3.1 22.6 1.0 C A:ALA22 3.1 23.3 1.0 CA A:THR254 3.2 23.4 1.0 CG A:ASN27 3.2 22.5 1.0 CB A:THR254 3.4 23.2 1.0 CG A:ASN286 3.4 25.8 1.0 N A:LEU601 3.6 20.8 1.0 C A:LEU601 3.6 24.1 1.0 ND2 A:ASN27 3.6 25.1 1.0 ND2 A:ASN286 3.6 24.2 1.0 CA A:VAL23 3.8 22.6 1.0 N A:VAL23 3.8 22.8 1.0 N A:GLY24 3.9 23.2 1.0 CA A:ALA22 4.1 22.9 1.0 CA A:LEU601 4.1 24.5 1.0 OE2 A:GLU290 4.3 29.2 1.0 N A:ASN27 4.4 23.7 1.0 N A:LEU255 4.4 21.5 1.0 C A:VAL23 4.4 23.3 1.0 CB A:ALA22 4.4 24.0 1.0 CG2 A:THR254 4.5 23.5 1.0 O A:LEU601 4.5 23.4 1.0 CB A:ASN27 4.6 22.7 1.0 N A:THR254 4.6 23.0 1.0 O A:PHE253 4.7 23.0 1.0 CB A:ASN286 4.8 24.9 1.0 C A:GLY26 4.8 24.5 1.0 CA A:ASN27 4.9 24.0 1.0 CA A:GLY26 4.9 23.8 1.0 CA A:LEU255 5.0 23.7 1.0

S.K.Singh, A.Yamashita, E.Gouaux. Antidepressant Binding Site in A Bacterial Homologue of Neurotransmitter Transporters. Nature V. 448 952 2007.
ISSN: ISSN 0028-0836
PubMed: 17687333
DOI: 10.1038/NATURE06038