Sodium in PDB 4mmc: Crystal Structure of Leubat (DELTA6 Mutant) in Complex with Desvenlafaxine

The structure of Crystal Structure of Leubat (DELTA6 Mutant) in Complex with Desvenlafaxine, PDB code: 4mmc was solved by H.Wang, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.85 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	87.669, 87.042, 81.368, 90.00, 94.71, 90.00
R / Rfree (%)	20.1 / 22.8

The binding sites of Sodium atom in the Crystal Structure of Leubat (DELTA6 Mutant) in Complex with Desvenlafaxine (pdb code 4mmc). 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 Leubat (DELTA6 Mutant) in Complex with Desvenlafaxine, PDB code: 4mmc:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Leubat (DELTA6 Mutant) in Complex with Desvenlafaxine


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 Leubat (DELTA6 Mutant) in Complex with Desvenlafaxine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na601 b:30.2 occ:1.00 O A:ALA351 2.1 35.1 1.0 O A:GLY20 2.2 36.6 1.0 O A:VAL23 2.3 26.3 1.0 OG1 A:THR354 2.4 34.0 1.0 OG A:SER355 2.4 26.8 1.0 N A:SER355 3.1 30.1 1.0 C A:ALA351 3.2 33.8 1.0 CB A:SER355 3.3 28.4 1.0 C A:GLY20 3.4 34.6 1.0 C A:VAL23 3.4 28.1 1.0 CB A:THR354 3.4 34.9 1.0 C A:THR354 3.6 34.0 1.0 CA A:SER355 3.6 27.0 1.0 CA A:ALA351 3.9 36.6 1.0 CA A:THR354 3.9 35.3 1.0 O A:TYR21 4.0 31.5 1.0 CB A:ASP24 4.1 33.2 1.0 CA A:ASP24 4.1 39.4 1.0 N A:THR354 4.2 28.8 1.0 N A:ASP24 4.2 28.3 1.0 C A:TYR21 4.2 27.9 1.0 O A:THR354 4.3 33.9 1.0 N A:TYR21 4.3 28.1 1.0 CA A:GLY20 4.3 27.3 1.0 CA A:TYR21 4.3 29.6 1.0 N A:GLY352 4.4 30.1 1.0 CA A:VAL23 4.4 29.7 1.0 N A:VAL23 4.4 30.7 1.0 O A:PHE350 4.5 34.2 1.0 CB A:ALA351 4.6 34.2 1.0 CA A:GLY352 4.7 35.8 1.0 CG2 A:THR354 4.7 33.6 1.0 C A:GLY352 4.7 36.5 1.0 CB A:VAL23 4.8 36.8 1.0 O A:GLY352 4.8 35.4 1.0 N A:ALA22 4.9 31.7 1.0 C A:ALA22 4.9 27.0 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Leubat (DELTA6 Mutant) in Complex with Desvenlafaxine


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 Leubat (DELTA6 Mutant) in Complex with Desvenlafaxine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na602 b:34.1 occ:1.00 O A:SER254 2.4 32.8 1.0 O A:ALA22 2.4 30.1 1.0 OD1 A:ASN286 2.4 29.9 1.0 OD1 A:ASN27 2.4 31.1 1.0 O A:HOH704 2.4 36.6 1.0 OG A:SER254 2.5 35.1 1.0 C A:SER254 3.1 29.9 1.0 CG A:ASN27 3.2 35.9 1.0 CA A:SER254 3.2 37.6 1.0 C A:ALA22 3.3 27.0 1.0 CG A:ASN286 3.3 34.5 1.0 CB A:SER254 3.4 26.4 1.0 ND2 A:ASN27 3.4 31.8 1.0 ND2 A:ASN286 3.6 30.3 1.0 OE1 A:GLU290 3.9 42.3 1.0 N A:VAL23 4.1 30.7 1.0 CA A:VAL23 4.1 29.7 1.0 CA A:ALA22 4.2 33.2 1.0 OD1 A:ASP24 4.2 44.1 1.0 N A:LEU255 4.3 33.6 1.0 CB A:ALA22 4.4 24.2 1.0 N A:ASP24 4.4 28.3 1.0 CB A:ASN27 4.6 34.5 1.0 N A:SER254 4.6 25.9 1.0 C A:VAL23 4.7 28.1 1.0 CB A:ASN286 4.7 36.1 1.0 N A:ASN27 4.8 33.3 1.0 C14 A:29J603 4.9 59.1 1.0 C15 A:29J603 5.0 39.2 1.0 CA A:LEU255 5.0 31.5 1.0 CA A:ASN27 5.0 36.4 1.0

H.Wang, A.Goehring, K.H.Wang, A.Penmatsa, R.Ressler, E.Gouaux. Structural Basis For Action By Diverse Antidepressants on Biogenic Amine Transporters. Nature V. 503 141 2013.
ISSN: ISSN 0028-0836
PubMed: 24121440
DOI: 10.1038/NATURE12648