Sodium in PDB 2qju: Crystal Structure of An Nss Homolog with Bound Antidepressant

The structure of Crystal Structure of An Nss Homolog with Bound Antidepressant, PDB code: 2qju was solved by Z.Zhou, N.K.Karpowich, D.N.Wang, New York Consortium On Membrane Proteinstructure (Nycomps), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.22 / 2.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.414, 86.763, 81.187, 90.00, 95.72, 90.00
R / Rfree (%)	19.9 / 22

The structure of Crystal Structure of An Nss Homolog with Bound Antidepressant also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Sodium atom in the Crystal Structure of An Nss Homolog with Bound Antidepressant (pdb code 2qju). 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 of An Nss Homolog with Bound Antidepressant, PDB code: 2qju:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of An Nss Homolog with Bound Antidepressant


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of An Nss Homolog with Bound Antidepressant within 5.0Å range: probe atom residue distance (Å) B Occ A:Na701 b:33.3 occ:1.00 OG1 A:THR354 2.1 28.8 1.0 O A:VAL23 2.2 30.7 1.0 O A:GLY20 2.2 38.6 1.0 O A:ALA351 2.2 33.8 1.0 OG A:SER355 2.4 34.5 1.0 N A:SER355 2.9 32.8 1.0 CB A:THR354 3.1 29.2 1.0 C A:VAL23 3.2 31.3 1.0 C A:THR354 3.2 32.6 1.0 CB A:SER355 3.3 31.8 1.0 C A:GLY20 3.3 37.6 1.0 C A:ALA351 3.4 31.6 1.0 CA A:SER355 3.5 33.6 1.0 CA A:THR354 3.6 31.5 1.0 CA A:GLY24 3.7 28.6 1.0 N A:GLY24 3.9 29.5 1.0 O A:THR354 3.9 34.4 1.0 N A:THR354 3.9 31.3 1.0 CA A:GLY20 4.0 37.1 1.0 CA A:ALA351 4.0 30.2 1.0 O A:PHE350 4.3 35.6 1.0 CA A:VAL23 4.4 31.4 1.0 CG2 A:THR354 4.4 28.1 1.0 N A:ASN21 4.4 36.6 1.0 O A:ASN21 4.5 37.3 1.0 N A:GLY352 4.5 31.4 1.0 N A:VAL23 4.5 32.5 1.0 C A:ASN21 4.6 36.2 1.0 C A:GLY352 4.7 31.8 1.0 O A:GLY352 4.7 33.2 1.0 CA A:GLY352 4.7 31.8 1.0 CA A:ASN21 4.8 36.0 1.0 CB A:ALA351 4.9 28.4 1.0 CB A:VAL23 4.9 33.1 1.0 C A:ALA22 5.0 34.1 1.0 C A:LEU353 5.0 30.5 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of An Nss Homolog with Bound Antidepressant


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of An Nss Homolog with Bound Antidepressant within 5.0Å range: probe atom residue distance (Å) B Occ A:Na702 b:32.8 occ:1.00 O A:ALA22 2.1 33.0 1.0 OD1 A:ASN27 2.2 33.8 1.0 O A:THR254 2.4 35.7 1.0 OD1 A:ASN286 2.5 39.3 1.0 OXT A:LEU601 2.5 31.5 1.0 OG1 A:THR254 2.6 37.0 1.0 C A:ALA22 3.0 34.1 1.0 C A:THR254 3.1 34.7 1.0 CG A:ASN27 3.1 31.6 1.0 CA A:THR254 3.2 34.9 1.0 CG A:ASN286 3.4 38.6 1.0 CB A:THR254 3.4 36.3 1.0 ND2 A:ASN27 3.5 34.0 1.0 N A:LEU601 3.6 32.2 1.0 C A:LEU601 3.6 31.7 1.0 ND2 A:ASN286 3.7 36.2 1.0 N A:VAL23 3.7 32.5 1.0 CA A:VAL23 3.8 31.4 1.0 N A:GLY24 3.9 29.5 1.0 CA A:ALA22 4.0 34.3 1.0 CA A:LEU601 4.1 31.6 1.0 OE2 A:GLU290 4.2 46.0 1.0 CB A:ALA22 4.3 35.0 1.0 C A:VAL23 4.3 31.3 1.0 N A:ASN27 4.4 32.1 1.0 N A:LEU255 4.4 33.5 1.0 CB A:ASN27 4.5 31.8 1.0 N A:THR254 4.5 35.8 1.0 O A:LEU601 4.6 31.3 1.0 CG2 A:THR254 4.6 36.6 1.0 O A:PHE253 4.8 34.6 1.0 CB A:ASN286 4.8 40.0 1.0 CA A:ASN27 4.8 32.8 1.0 C A:GLY26 4.9 32.1 1.0 CA A:GLY24 5.0 28.6 1.0

Z.Zhou, J.Zhen, N.K.Karpowich, R.M.Goetz, C.J.Law, M.E.Reith, D.N.Wang. Leut-Desipramine Structure Reveals How Antidepressants Block Neurotransmitter Reuptake. Science V. 317 1390 2007.
ISSN: ISSN 0036-8075
PubMed: 17690258
DOI: 10.1126/SCIENCE.1147614