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Full-length 5-HT3A receptor in a serotonin-bound conformation- state 2

Analyse Full-length 5-HT3A receptor in a serotonin-bound conformation- state 2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6DG8
Type
protein
Length
1,955 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5-hydroxytryptamine receptor 3A
UniProt
E9QLC0
Ligands
SRO, NAG, BMA
Pockets
20 · best druggability 0.87

Structure

electron microscopy · 1 distinct chain · 39% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E5-hydroxytryptamine receptor 3Aprotein39139% helix, 23% strandE9QLC0

Ligands and binding sites

  • SRO · Serotonin · ligand · 5 copies · chains A, E, B, C, D
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 30 copies · chains A, B, C, D, E
  • BMA · beta-D-mannopyranose · sugar · 5 copies

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16580.870.9181empty
26190.860.9086empty
34030.860.9348empty
45270.850.9169empty
52500.830.9429empty

Interfaces

5 interfaces between chains.

  • A–E · 2660 Ų buried · 17 hydrogen bonds · protein-protein
  • A–B · 2650 Ų buried · 16 hydrogen bonds · protein-protein
  • B–C · 2613 Ų buried · 15 hydrogen bonds · protein-protein
  • C–D · 2578 Ų buried · 15 hydrogen bonds · protein-protein
  • D–E · 2466 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 6DG8 · Full-length 5-HT3A receptor in a serotonin-bound conformation- State 2 · the same entry in another collection · chain A against A, TM-score 1.00

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