Structure of PDB 8bqa Chain AAA Binding Site BS02

Receptor Information

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

MVAPLSVQGNKILANGQPASFSGMSLFWSNTEWGGEKYYNAQVVSWLKSD
WNAKLVRAAMGVEDEGGYLTDPANKDRVTQVVDAAIANDMYVIIDWHSHN
AHQYQSQAIAFFQEMARKYGANNHVIYEIYNEPLQVSWSNTIKPYAQAVI
AAIRAIDPDNLIIVGTPTWSQDVDVAANDPITGYQNIAYTLHFYAGTHGQ
YLRDKAQTALNRGIALFVTEWGSVNANGDGAVANSETNAWVSFMKTNHIS
NANWALNDKVEGASALVPGASANGGWVNSQLTASGALAKSIISGWPSY

Ligand information

• Ligand ID: XYS
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
• InChIKey: SRBFZHDQGSBBOR-LECHCGJUSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
  CACTVS 3.341: O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: alpha-D-xylopyranose;
  alpha-D-xylose;
  D-xylose;
  xylose;
  XYLOPYRANOSE
• DrugBank: DB03389
• ZINC: ZINC000001529214
• PDB chain: 8bqa Chain AAA Residue 402

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): D64 H99
• Binding residue (residue number reindexed from 1): D64 H99
• Annotation score: 4

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