› 4mmc

X-ray diffraction
2.3Å resolution

Crystal structure of LeuBAT (delta6 mutant) in complex with desvenlafaxine

Released:
DOI: 10.2210/pdb4mmc/pdb
PDB entry 4mmc coloured by chain, front view.
PDB entry 4mmc coloured by chain, side view.
PDB entry 4mmc coloured by chain, top view.
Source organism: Aquifex aeolicus VF5
Primary publication:
Structural basis for action by diverse antidepressants on biogenic amine transporters.
Wang H, Goehring A, Wang KH, Penmatsa A, Ressler R, Gouaux E
OpenAccess logo Nature 503 141-5 (2013)
PMID: 24121440

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130575 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Na(+):neurotransmitter symporter (Snf family) Chain: A
Molecule details ›
Chain: A
Length: 519 amino acids
Theoretical weight: 58.07 KDa
Source organism: Aquifex aeolicus VF5
Expression system: Escherichia coli
UniProt:
  • Canonical: O67854 (Residues: 1-513; Coverage: 100%)
Gene names: aq_2077, snf
Sequence domains: Sodium:neurotransmitter symporter family

Ligands and Environments

3 bound ligands:
Ligand NA 2 x NA
Ligand 29J 2 x 29J
Ligand BOG 2 x BOG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: C2
Unit cell:
a: 87.669Å b: 87.042Å c: 81.368Å
α: 90° β: 94.71° γ: 90°
R-values:
R R work R free
0.202 0.2 0.228
Expression system: Escherichia coli

Quick links

Citations

17 review citations

Behavioral, biological, and chemical perspectives on atypical agents targeting the dopamine transporter.
Reith et al. (2015)
16 more

1 mention without citation

Structural basis for action by diverse antidepressants on biogenic amine transporters.
Wang et al. (2013)