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MolNFT v1 · #71792 · protein

Crystal structures of two intensely sweet proteins

3MON · Monellin: “Crystal structures of two intensely sweet proteins”. X-ray diffraction, 3 pockets (best druggability 0.66). MolNFT v1 #71792 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3MON
Type
protein
Length
376 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Monellin
UniProt
P02881, P02882
Pockets
3 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 18% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, GMonellinprotein440% helix, 61% strandP02881
B, D, F, HMonellinprotein5034% helix, 32% strandP02882

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12910.660.8230empty
22870.590.7833empty
31180.440.7725empty

Interfaces

15 interfaces between chains.

  • G–H · 1321 Ų buried · 18 hydrogen bonds · protein-protein
  • A–B · 1317 Ų buried · 19 hydrogen bonds · protein-protein
  • E–F · 1285 Ų buried · 18 hydrogen bonds · protein-protein
  • C–D · 1269 Ų buried · 12 hydrogen bonds · protein-protein
  • F–H · 244 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3MON · Crystal structures of two intensely sweet proteins · the same entry in another collection · chain H against H, TM-score 1.00
  • P02882 · AlphaFold monomer V2.0 prediction for monellin chain B (P02882) · a predicted model of the same protein · chain B against A, TM-score 0.88
  • P02881 · AlphaFold monomer V2.0 prediction for monellin chain a (P02881) · a predicted model of the same protein · chain A against A, TM-score 0.86

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