› 7txt

Electron Microscopy
3Å resolution

Structure of human serotonin transporter bound to small molecule '8090 in lipid nanodisc and NaCl

Released:
DOI: 10.2210/pdb7txt/pdb
PDB entry 7txt coloured by chain, front view.
PDB entry 7txt coloured by chain, side view.
PDB entry 7txt coloured by chain, top view.
Source organisms:
Primary publication:
Structure-based discovery of conformationally selective inhibitors of the serotonin transporter.
Singh I, Seth A, Billesbølle CB, Braz J, Rodriguiz RM, Roy K, Bekele B, Craik V, Huang XP, Boytsov D, Pogorelov VM, Lak P, O'Donnell H, Sandtner W, Irwin JJ, Roth BL, Basbaum AI, Wetsel WC, Manglik A, Shoichet BK, Rudnick G
Cell 186 2160-2175.e17 (2023)
PMID: 37137306
Related structures: EMD-26160

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-225591 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
15B8 Fab heavy chain Chain: C
Molecule details ›
Chain: C
Length: 120 amino acids
Theoretical weight: 13.17 KDa
Source organism: Mus musculus
Expression system: Homo sapiens
15B8 Fab light chain Chain: D
Molecule details ›
Chain: D
Length: 111 amino acids
Theoretical weight: 11.91 KDa
Source organism: Mus musculus
Expression system: Homo sapiens
Sodium-dependent serotonin transporter Chain: S
Molecule details ›
Chain: S
Length: 541 amino acids
Theoretical weight: 61.06 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P31645 (Residues: 77-617; Coverage: 86%)
Gene names: HTT, SERT, SLC6A4
Sequence domains: Sodium:neurotransmitter symporter family

Ligands and Environments

1 bound ligand:
Ligand KWC 1 x KWC
No modified residues

Experiments and Validation Details

Entry percentile scores
Resolution: 3Å
Relevant EMDB volumes: EMD-26160
Expression system: Homo sapiens

Quick links

Citations

2 review citations

Applications and Potential of In Silico Approaches for Psychedelic Chemistry.
Karabulut et al. (2023)
1 more