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MolNFT v1 · #82424 · protein

Crystal structure of dextranase from streptococcus mutans in complex with 4,5-epoxypentyl alpha-D-glucopyranoside

3VMP: “Crystal structure of dextranase from streptococcus mutans in complex with 4,5-epoxypentyl…”. X-ray diffraction, 2 ligands (E5G, PO4), 4 pockets (best druggability 0.62). MolNFT v1 #82424 on GenesisL1: 3D structure, binding sites and…

PDB
3VMP
Type
protein
Length
632 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dextranase
EC
3.2.1.11
UniProt
F5BA50
Ligands
E5G, PO4
Pockets
4 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADextranase (EC 3.2.1.11)protein63224% helix, 32% strandF5BA50

Ligands and binding sites

  • E5G · 5-hydroxypentyl alpha-D-glucopyranoside · ligand · chains A
  • PO4 · Phosphate ion · ion · 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
13360.620.7839E5G
21710.500.7818empty
3640.370.7823empty
4800.360.7623empty

Compared structures

  • 3VMP · Crystal structure of dextranase from Streptococcus mutans in complex with 4,5-epoxypentyl… · the same entry in another collection · chain A against A, TM-score 1.00

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