Structure of PDB 8bqb Chain A Binding Site BS01

Receptor Information

>8bqb Chain A (length=331) Species: 498211 (Cellvibrio japonicus Ueda107)

TSGWWNAGDVPAFDKRQLSRQLPLIRVDGNRFVDEQGNVQIFRGVSISDP
NKLAKDQHFNKKHFDVIRSWGTNVVRIPVHPSAWRERGVKGYLELLDQAI
TWNNELGMYTIIDWHSMGNLKSEMFQNSMYHTSKGETFDFWRRVSERYNG
INSVAFYEIFNEPTVFSGRLGIVSWAEWKAINEEAITIIQAHNPNAISLV
AGFNWAYDLREAAANPIERNNVAYVSHPYPQKVGAPYQANWERDFGFMAD
KYPVFATEIGYQLASDKGAHIPVIDDGSYGPRITDYFAKKGISWVAWVFD
PDWSPQMIKSWDYEPTMQGEHFRKVMLKENK

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: 8bqb Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8bqb Dissection of a Native Bacterial Xyloglucan-degrading System using Activity-Based Probes
• Resolution: 2.701 Å
• Binding residue (original residue number in PDB): H122 N168 E169 Y236 E265 H277 W304 S311
• Binding residue (residue number reindexed from 1): H115 N161 E162 Y229 E258 H270 W297 S304
• 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
• GO:0008810 cellulase activity
• GO:0016798 hydrolase activity, acting on glycosyl bonds

Biological Process

• GO:0000272 polysaccharide catabolic process

External links

• PDB: RCSB:8bqb, PDBe:8bqb, PDBj:8bqb
• PDBsum: 8bqb
• PubMed: 38161374
• UniProt: B3PF55