Structure of PDB 8bqa Chain AAA Binding Site BS03

Receptor Information

>8bqa Chain AAA (length=298) Species: 155077 (Cellvibrio japonicus)

MVAPLSVQGNKILANGQPASFSGMSLFWSNTEWGGEKYYNAQVVSWLKSD
WNAKLVRAAMGVEDEGGYLTDPANKDRVTQVVDAAIANDMYVIIDWHSHN
AHQYQSQAIAFFQEMARKYGANNHVIYEIYNEPLQVSWSNTIKPYAQAVI
AAIRAIDPDNLIIVGTPTWSQDVDVAANDPITGYQNIAYTLHFYAGTHGQ
YLRDKAQTALNRGIALFVTEWGSVNANGDGAVANSETNAWVSFMKTNHIS
NANWALNDKVEGASALVPGASANGGWVNSQLTASGALAKSIISGWPSY

Ligand information

• Ligand ID: YLL
• InChI: InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4-,5+,6+,7-/m1/s1
• InChIKey: QFYQIWDMMSKNFF-NYLBLOMBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(C1O)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O
  CACTVS 3.341: OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(C(O)C(O)C(O)C1O)CO
• Formula: C7 H14 O6
• Name: (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL
• PDB chain: 8bqa Chain AAA Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8bqa Dissection of a Native Bacterial Xyloglucan-degrading System using Activity-Based Probes
• Resolution: 1.67 Å
• Binding residue (original residue number in PDB): W28 H97 N131 E132 Y194 E220 A226 G228 W254
• Binding residue (residue number reindexed from 1): W28 H97 N131 E132 Y194 E220 A226 G228 W254
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.2.1.4: cellulase.

Gene Ontology

Molecular Function

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

Biological Process

• GO:0000272 polysaccharide catabolic process
• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:8bqa, PDBe:8bqa, PDBj:8bqa
• PDBsum: 8bqa
• PubMed: 38161374
• UniProt: B3PCS3