Sodium in PDB 2qei: Crystal Structure Analysis of Leut Complexed with L-Alanine, Sodium, and Clomipramine

The structure of Crystal Structure Analysis of Leut Complexed with L-Alanine, Sodium, and Clomipramine, PDB code: 2qei 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)	44.65 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.787, 86.027, 81.659, 90.00, 95.98, 90.00
R / Rfree (%)	19.5 / 21

The structure of Crystal Structure Analysis of Leut Complexed with L-Alanine, Sodium, and Clomipramine also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Sodium atom in the Crystal Structure Analysis of Leut Complexed with L-Alanine, Sodium, and Clomipramine (pdb code 2qei). 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-Alanine, Sodium, and Clomipramine, PDB code: 2qei:
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-Alanine, Sodium, and Clomipramine


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-Alanine, Sodium, and Clomipramine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na751 b:25.0 occ:1.00 O A:VAL23 2.2 22.3 1.0 O A:GLY20 2.2 26.6 1.0 O A:ALA351 2.3 22.4 1.0 OG1 A:THR354 2.4 24.5 1.0 OG A:SER355 2.4 24.9 1.0 N A:SER355 2.9 23.9 1.0 CB A:SER355 3.2 25.6 1.0 C A:VAL23 3.2 22.7 1.0 C A:THR354 3.3 24.7 1.0 C A:GLY20 3.4 26.5 1.0 CB A:THR354 3.4 24.2 1.0 C A:ALA351 3.4 22.3 1.0 CA A:SER355 3.4 24.6 1.0 CA A:GLY24 3.6 24.6 1.0 CA A:THR354 3.8 25.5 1.0 N A:GLY24 3.8 22.8 1.0 CA A:GLY20 4.0 27.2 1.0 CA A:ALA351 4.0 22.9 1.0 O A:THR354 4.0 24.8 1.0 N A:THR354 4.1 24.0 1.0 O A:ASN21 4.3 24.9 1.0 CA A:VAL23 4.3 23.6 1.0 N A:VAL23 4.4 24.0 1.0 N A:ASN21 4.5 26.6 1.0 O A:PHE350 4.5 26.4 1.0 N A:GLY352 4.5 21.0 1.0 C A:ASN21 4.5 27.1 1.0 O A:GLY352 4.7 23.2 1.0 CG2 A:THR354 4.7 23.7 1.0 C A:GLY352 4.7 22.3 1.0 CA A:GLY352 4.8 21.0 1.0 CA A:ASN21 4.8 27.1 1.0 C A:ALA22 4.8 24.9 1.0 CB A:VAL23 4.8 25.3 1.0 CB A:ALA351 4.8 22.7 1.0 C A:SER355 4.9 23.3 1.0

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


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-Alanine, Sodium, and Clomipramine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na752 b:25.3 occ:1.00 O A:ALA22 2.2 22.6 1.0 O A:THR254 2.3 23.4 1.0 OD1 A:ASN27 2.3 24.9 1.0 OG1 A:THR254 2.5 25.6 1.0 OD1 A:ASN286 2.5 24.7 1.0 OXT A:ALA601 2.6 24.9 1.0 C A:THR254 3.1 24.8 1.0 C A:ALA22 3.1 24.9 1.0 CA A:THR254 3.2 24.1 1.0 CG A:ASN27 3.2 25.8 1.0 CG A:ASN286 3.3 24.4 1.0 CB A:THR254 3.4 26.0 1.0 ND2 A:ASN286 3.5 24.6 1.0 ND2 A:ASN27 3.6 26.1 1.0 N A:ALA601 3.6 22.8 1.0 C A:ALA601 3.6 26.0 1.0 CA A:VAL23 3.8 23.6 1.0 N A:VAL23 3.8 24.0 1.0 N A:GLY24 3.8 22.8 1.0 CA A:ALA22 4.1 24.8 1.0 CA A:ALA601 4.1 25.4 1.0 OE2 A:GLU290 4.2 28.1 1.0 C A:VAL23 4.3 22.7 1.0 N A:LEU255 4.3 23.1 1.0 N A:ASN27 4.3 23.9 1.0 CG2 A:THR254 4.4 24.3 1.0 CB A:ALA22 4.4 25.2 1.0 CB A:ASN27 4.5 24.6 1.0 N A:THR254 4.6 23.5 1.0 O A:ALA601 4.6 25.1 1.0 CB A:ASN286 4.8 23.9 1.0 O A:PHE253 4.8 23.6 1.0 CA A:ASN27 4.8 25.2 1.0 C A:GLY26 4.8 25.1 1.0 CA A:GLY24 4.9 24.6 1.0 CA A:GLY26 5.0 24.9 1.0 CA A:LEU255 5.0 24.9 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