Structure of PDB 8bqb Chain A Binding Site BS02

Receptor Information
>8bqb Chain A (length=331) Species: 498211 (Cellvibrio japonicus Ueda107) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSGWWNAGDVPAFDKRQLSRQLPLIRVDGNRFVDEQGNVQIFRGVSISDP
NKLAKDQHFNKKHFDVIRSWGTNVVRIPVHPSAWRERGVKGYLELLDQAI
TWNNELGMYTIIDWHSMGNLKSEMFQNSMYHTSKGETFDFWRRVSERYNG
INSVAFYEIFNEPTVFSGRLGIVSWAEWKAINEEAITIIQAHNPNAISLV
AGFNWAYDLREAAANPIERNNVAYVSHPYPQKVGAPYQANWERDFGFMAD
KYPVFATEIGYQLASDKGAHIPVIDDGSYGPRITDYFAKKGISWVAWVFD
PDWSPQMIKSWDYEPTMQGEHFRKVMLKENK
Ligand information
Ligand IDBGC
InChIInChI=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
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain8bqb Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8bqb Dissection of a Native Bacterial Xyloglucan-degrading System using Activity-Based Probes
Resolution2.701 Å
Binding residue
(original residue number in PDB)		H87 Y137 W310 S311
Binding residue
(residue number reindexed from 1)		H80 Y130 W303 S304
Annotation score4
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8bqb, PDBe:8bqb, PDBj:8bqb
PDBsum8bqb
PubMed38161374
UniProtB3PF55

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