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MolNFT v1 · #81454 · protein

Higher-density crystal structure of potato endo-1,3-beta-glucanase

3UR7 · Glucan endo-1,3-beta-D-glucosidase: “Higher-density crystal structure of potato endo-1,3-beta-glucanase”. X-ray diffraction, 1 ligand (NA), 2 pockets (best druggability 0.75). MolNFT v1 #81454 on GenesisL1: 3D structure, binding…

PDB
3UR7
Type
protein
Length
632 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glucan endo-1,3-beta-D-glucosidase
EC
3.2.1.39
UniProt
Q70C53
Ligands
NA
Pockets
2 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGlucan endo-1,3-beta-D-glucosidase (EC 3.2.1.39)protein31640% helix, 17% strandQ70C53

Ligands and binding sites

  • NA · Sodium ion · metal · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18920.750.7888empty
26180.660.7656empty

Interfaces

1 interface between chains.

  • A–B · 358 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 3UR7 · Higher-density crystal structure of potato endo-1,3-beta-glucanase · the same entry in another collection · chain A against A, TM-score 1.00

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