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MolNFT v1 · #85831 · protein

Biomphalaria glabrata acetylcholine-binding protein type 2 (BGACHBP2)

4AOE: “Biomphalaria glabrata acetylcholine-binding protein type 2 (BGACHBP2)”. Electron microscopy, 17 pockets (best druggability 0.76). MolNFT v1 #85831 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4AOE
Type
protein
Length
1,025 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Acetylcholine-binding protein type 2
Pockets
17 · best druggability 0.76

Structure

electron microscopy · 1 distinct chain · 8% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, EAcetylcholine-binding protein type 2protein2058% helix, 48% strand—

Pockets

17 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13210.760.8752empty
23180.750.8750empty
33020.750.8750empty
43160.740.8651empty
53340.730.8553empty

Interfaces

5 interfaces between chains.

  • A–B · 1515 Ų buried · 54 hydrogen bonds · protein-protein
  • A–E · 1512 Ų buried · 54 hydrogen bonds · protein-protein
  • B–C · 1510 Ų buried · 54 hydrogen bonds · protein-protein
  • C–D · 1510 Ų buried · 54 hydrogen bonds · protein-protein
  • D–E · 1502 Ų buried · 54 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

  • 4AOE · Biomphalaria glabrata Acetylcholine-binding protein type 2 (BgAChBP2) · the same entry in another collection · chain A against A, TM-score 1.00

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