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Crystal structure of the complex of the extracellular domain of human alpha9 nAChR with alpha-bungarotoxin.

X-ray diffraction
2.697Å resolution
PDB entry 4uy2 coloured by chain, front view.
PDB entry 4uy2 coloured by chain, side view.
PDB entry 4uy2 coloured by chain, top view.
Source organisms:
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Alpha-bungarotoxin isoform V31 and Neuronal acetylcholine receptor subunit alpha-9
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Multimeric state: hetero dimer
Accessible surface area: 15253.88 Å2
Buried surface area: 1596.19 Å2
Dissociation area: 521.21 Å2
Dissociation energy (ΔGdiss): -0.89 kcal/mol
Dissociation entropy (TΔSdiss): 10.85 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-158069
Assembly 2
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Assembly Name: Alpha-bungarotoxin isoform V31 and Neuronal acetylcholine receptor subunit alpha-9
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Multimeric state: hetero dimer
Accessible surface area: 15080.68 Å2
Buried surface area: 1738.73 Å2
Dissociation area: 589.86 Å2
Dissociation energy (ΔGdiss): 0.1 kcal/mol
Dissociation entropy (TΔSdiss): 10.86 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-158069

Macromolecules

Neuronal acetylcholine receptor subunit alpha-9
Chains: A, B
Length: 218 amino acids
Theoretical weight: 25.31 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
UniProt:
  • Canonical: Q9UGM1 (Residues: 26-237; Coverage: 47%)
Gene names: CHRNA9, NACHRA9
Pfam: Neurotransmitter-gated ion-channel ligand binding domain
InterPro:
CATH: Neurotransmitter-gated ion-channel ligand-binding domain
Neuronal acetylcholine receptor subunit alpha-9 in PDB entry 4uy2, assembly 1, front view.
Neuronal acetylcholine receptor subunit alpha-9 in PDB entry 4uy2, assembly 1, side view.
Neuronal acetylcholine receptor subunit alpha-9 in PDB entry 4uy2, assembly 1, top view.
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Alpha-bungarotoxin isoform V31
Chains: C, D
Length: 74 amino acids
Theoretical weight: 8.03 KDa
Source organism: Bungarus multicinctus
UniProt:
  • Canonical: P60616 (Residues: 22-95; Coverage: 100%)
InterPro:
CATH: CD59
Alpha-bungarotoxin isoform V31 in PDB entry 4uy2, assembly 1, front view.
Alpha-bungarotoxin isoform V31 in PDB entry 4uy2, assembly 1, side view.
Alpha-bungarotoxin isoform V31 in PDB entry 4uy2, assembly 1, top view.
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