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MolNFT v1 · #8918 · protein

Endoglucanase CEL5A from bacillus agaradhaerens in the orthorhombic crystal form in complex with cellotriose

1HF6 · Endoglucanase B: “Endoglucanase CEL5A from bacillus agaradhaerens in the orthorhombic crystal form in complex with cellotriose”. X-ray diffraction, 3 ligands (BGC, GLC, SO4), 1 pocket (best druggability 0.44). MolNFT v1 #8918 on…

PDB
1HF6
Type
protein
Length
300 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endoglucanase B
EC
3.2.1.4
UniProt
O85465
Ligands
BGC, GLC, SO4
Pockets
1 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndoglucanase B (EC 3.2.1.4)protein30040% helix, 19% strandO85465

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
  • GLC · alpha-D-glucopyranose · sugar · chains A
  • SO4 · Sulfate ion · ion · chains A
  • GOL · Glycerol · additive · 2 copies · chains A
  • ACY · Acetic acid · additive · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11050.440.7827GLC, BGC

Compared structures

  • 1HF6 · Endoglucanase CEL5A from bacillus agaradhaerens in the orthorhombic crystal form in… · the same entry in another collection · chain A against A, TM-score 1.00
  • O85465 · AlphaFold monomer V2.0 prediction for endoglucanase 5A (O85465) · a predicted model of the same protein · chain A against A, TM-score 1.00

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