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MolNFT v1 · #75851 · protein

Reduced sweetness of a monellin (mnei) mutant results from increased protein flexibility and disruption of a distant poly-(L-proline) II helix

3Q2P · Monellin chain B/MONELLIN chain a chimeric protein: “Reduced sweetness of a monellin (mnei) mutant results from increased protein flexibility and disruption of a…”. X-ray diffraction, 1 ligand (NA), 4 pockets (best druggability…

PDB
3Q2P
Type
protein
Length
385 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Monellin chain B/MONELLIN chain a chimeric protein
UniProt
P02882, P02881
Ligands
NA
Pockets
4 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 18% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, DMonellin chain B/MONELLIN chain a chimeric proteinprotein9618% helix, 50% strandP02882, P02881
BMonellin chain B/MONELLIN chain a chimeric proteinprotein9718% helix, 51% strandP02882, P02881

Ligands and binding sites

  • NA · Sodium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11820.590.8223empty
21350.580.8423empty
32460.480.7432empty
4520.280.7516empty

Interfaces

4 interfaces between chains.

  • C–D · 628 Ų buried · 7 hydrogen bonds · protein-protein
  • A–B · 582 Ų buried · 5 hydrogen bonds · protein-protein
  • B–D · 129 Ų buried · 0 hydrogen bonds · protein-protein
  • B–C · 60 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3Q2P · Reduced sweetness of a monellin (MNEI) mutant results from increased protein flexibility… · the same entry in another collection · chain D against D, TM-score 1.00
  • P02882 · AlphaFold monomer V2.0 prediction for monellin chain B (P02882) · a predicted model of the same protein · chain A against A, TM-score 0.49
  • P02881 · AlphaFold monomer V2.0 prediction for monellin chain a (P02881) · a predicted model of the same protein · chain B against A, TM-score 0.45

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