Structure of PDB 8ghy Chain B Binding Site BS01

Receptor Information

>8ghy Chain B (length=362) Species: 1754191 (Piromyces finnis)

SNAIRDISSIELIKEMRFGWNLGNTLDAECTSWMDYEKNPIGSETCWGNV
KTNEDIFKTLMDNQFNVFRIPTTWTGHIGEAPEYKINEQWMKRVHEIVDY
PYKNGAFVILNIHHETWNHAFAETVDEAKVELAQVWKQIAEEFKGYGERL
IFEGQNAPRKNGTPVEWNGGDKEGWDVVNAMNAVFLETVRSSGGNNAKRH
LMIPPYAAACNENSFKNFDFPEDDDKVIASVHAYSPYNFALNNGEGAVDK
FDASGKNELDWNINLMKKRFVDQGIPMILGEYGAMNRDNEEERAAWAEYY
MEKITALGVPQVWWDNGVFEGEGERFGLIDRKNLKIVYPSIVAALQKGRG
LEVNVLHAIETE

Ligand information

• Ligand ID: BGC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
• InChIKey: WQZGKKKJIJFFOK-VFUOTHLCSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.7.6: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-glucopyranose;
  beta-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL1614854
• DrugBank: DB02379
• ZINC: ZINC000003833800
• PDB chain: 8ghy Chain E Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ghy Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): H110 H111 N153 Y231 E278 W311 E321
• Binding residue (residue number reindexed from 1): H113 H114 N156 Y234 E281 W314 E324
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds

Biological Process

• GO:0000272 polysaccharide catabolic process

External links

• PDB: RCSB:8ghy, PDBe:8ghy, PDBj:8ghy
• PDBsum: 8ghy
• PubMed: 37548665
• UniProt: A0A1Y1V643