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MolNFT v1 · #16906 · protein

Complex of the endoglucanase CEL5A from bacillus agaradhearans at 1.08 ångström resolution with cellobio-derived isofagomine

1OCQ · Endoglucanase 5A: “Complex of the endoglucanase CEL5A from bacillus agaradhearans at 1.08 ångström resolution with…”. X-ray diffraction, 3 ligands (IFM, BGC, SO4), 1 pocket (best druggability 0.46). MolNFT v1 #16906 on GenesisL1: 3D…

PDB
1OCQ
Type
protein
Length
300 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endoglucanase 5A
EC
3.2.1.4
UniProt
O85465
Ligands
IFM, BGC, SO4
Pockets
1 · best druggability 0.46

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndoglucanase 5A (EC 3.2.1.4)protein30040% helix, 19% strandO85465

Ligands and binding sites

  • IFM · 5-hydroxymethyl-3,4-dihydroxypiperidine · ligand · chains A
  • BGC · beta-D-glucopyranose · sugar · chains A
  • SO4 · Sulfate ion · ion · chains A
  • GOL · Glycerol · additive · 2 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11280.460.7824IFM, BGC

Compared structures

  • 1OCQ · COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHEARANS AT 1.08 ANGSTROM… · 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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