› 6awq

X-ray diffraction
4.05Å resolution

Anomalous chloride signal reveals the position of sertraline complexed with the serotonin transporter at the central site

Released:
DOI: 10.2210/pdb6awq/pdb
PDB entry 6awq coloured by chain, front view.
PDB entry 6awq coloured by chain, side view.
PDB entry 6awq coloured by chain, top view.
Source organisms:
Primary publication:
Structural basis for recognition of diverse antidepressants by the human serotonin transporter.
Coleman JA, Gouaux E
Nat Struct Mol Biol 25 170-175 (2018)
PMID: 29379174

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-101309 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Sodium-dependent serotonin transporter Chain: A
Molecule details ›
Chain: A
Length: 549 amino acids
Theoretical weight: 61.69 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P31645 (Residues: 76-618; Coverage: 86%)
Gene names: HTT, SERT, SLC6A4
Sequence domains: Sodium:neurotransmitter symporter family
Ig-like domain-containing protein Chain: B
Molecule details ›
Chain: B
Length: 229 amino acids
Theoretical weight: 24.85 KDa
Source organism: Mus musculus
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: A0A0F7R1P3 (Residues: 20-118, 119-232; Coverage: 47%)
Gene name: HC
Sequence domains:
Ig-like domain-containing protein Chain: C
Molecule details ›
Chain: C
Length: 214 amino acids
Theoretical weight: 23.72 KDa
Source organism: Mus musculus
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: A0A0F7R5U8 (Residues: 21-239; Coverage: 98%)
Gene name: LC
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand SRE 1 x SRE
Ligand NAG 2 x NAG
Ligand CLR 1 x CLR
Ligand CL 1 x CL
Ligand NA 2 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: C2221
Unit cell:
a: 130.55Å b: 165.9Å c: 142.66Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.271 0.269 0.316
Expression systems:
  • Homo sapiens
  • Spodoptera frugiperda

Quick links

Citations

19 review citations

Monoamine transporters: structure, intrinsic dynamics and allosteric regulation.
Cheng et al. (2019)
18 more

4 mentions without citation

Multiscale Simulations of Biological Membranes: The Challenge To Understand Biological Phenomena in a Living Substance.
Enkavi et al. (2019)
3 more