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MolNFT v1 · #82110 · protein

Thaumatin by lb based hanging drop vapour diffusion after 18.1 mgy X- ray dose at esrf ID29 beamline (worst case)

3VCG · Thaumatin I: “Thaumatin by lb based hanging drop vapour diffusion after 18.1 mgy X- ray dose at esrf ID29 beamline (worst…”. X-ray diffraction, 1 pocket (best druggability 0.56). MolNFT v1 #82110 on GenesisL1: 3D structure, binding…

PDB
3VCG
Type
protein
Length
207 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Thaumatin I
UniProt
Q8RVT0
Pockets
1 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AThaumatin Iprotein20712% helix, 39% strandQ8RVT0

Ligands and binding sites

  • GOL · Glycerol · additive · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1540.560.9020GOL

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 3VCG · Thaumatin by LB based Hanging Drop Vapour Diffusion after 18.1 MGy X-Ray dose at ESRF… · the same entry in another collection · chain A against A, TM-score 1.00

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