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MolNFT v1 · #87036 · protein

The structure and super-organization of acetylcholine receptor-rapsyn complexes class C

4BOO · Acetylcholine receptor subunit alpha: “The structure and super-organization of acetylcholine receptor-rapsyn complexes class C”. Electron microscopy, 20 pockets (best druggability 0.88). MolNFT v1 #87036 on GenesisL1: 3D structure…

PDB
4BOO
Type
protein
Length
1,849 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Acetylcholine receptor subunit alpha; Acetylcholine receptor beta subunit; Acetylcholine…
UniProt
P02711, Q6S3I0, Q6S3H8, Q6S3H9
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 4 distinct chains · 41% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DAcetylcholine receptor subunit alphaprotein37042% helix, 23% strandP02711
BAcetylcholine receptor beta subunitprotein37038% helix, 19% strandQ6S3I0
CAcetylcholine receptor delta subunitprotein36942% helix, 22% strandQ6S3H8
EAcetylcholine receptor gamma subunitprotein37042% helix, 18% strandQ6S3H9

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110500.880.88110empty
24570.830.9048empty
32770.820.9351empty
41810.820.9643empty
55080.820.8873empty

Interfaces

5 interfaces between chains.

  • B–C · 1945 Ų buried · 14 hydrogen bonds · protein-protein
  • D–E · 1837 Ų buried · 15 hydrogen bonds · protein-protein
  • A–E · 1748 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 1509 Ų buried · 12 hydrogen bonds · protein-protein
  • C–D · 1393 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 4BOO · The structure and super-organization of acetylcholine receptor-rapsyn complexes class C · the same entry in another collection · chain B against B, TM-score 1.00
  • P02711 · AlphaFold monomer V2.0 prediction for acetylcholine receptor subunit alpha (P02711) · a predicted model of the same protein · chain D against A, TM-score 0.85

Analyse

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