› 5i75

X-ray diffraction
3.49Å resolution

X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site and Br-citalopram at the allosteric site

Released:
DOI: 10.2210/pdb5i75/pdb
PDB entry 5i75 coloured by chain, front view.
PDB entry 5i75 coloured by chain, side view.
PDB entry 5i75 coloured by chain, top view.
Source organisms:
Primary publication:
X-ray structures and mechanism of the human serotonin transporter.
Coleman JA, Green EM, Gouaux E
OpenAccess logo Nature 532 334-9 (2016)
PMID: 27049939

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-542486 (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
8B6 antibody, heavy chain Chain: B
Molecule details ›
Chain: B
Length: 221 amino acids
Theoretical weight: 23.69 KDa
Source organism: Mus musculus
Expression system: Spodoptera frugiperda
Structure domains: Immunoglobulins
8B6 antibody, light chain Chain: C
Molecule details ›
Chain: C
Length: 214 amino acids
Theoretical weight: 23.72 KDa
Source organism: Mus musculus
Expression system: Spodoptera frugiperda
Structure domains: Immunoglobulins

Ligands and Environments

6 bound ligands:
Ligand 68P 1 x 68P
Ligand NAG 2 x NAG
Ligand CLR 1 x CLR
Ligand C14 1 x C14
Ligand 69D 1 x 69D
Ligand NA 1 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: 129.6Å b: 163.41Å c: 140.47Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.246 0.244 0.286
Expression systems:
  • Homo sapiens
  • Spodoptera frugiperda

Quick links

Citations

70 review citations

Molecular Dynamics Simulation for All.
Hollingsworth et al. (2018)
69 more

6 mentions without citation

X-ray structures and mechanism of the human serotonin transporter.
Coleman et al. (2016)
5 more