Structure of PDB 8bqb Chain B Binding Site BS02

Receptor Information
>8bqb Chain B (length=329) Species: 498211 (Cellvibrio japonicus Ueda107) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGWWNAGDVPAFDKRQLSRQLPLIRVDGNRFVDEQGNVQIFRGVSISDPN
KLAKDQHFNKKHFDVIRSWGTNVVRIPVHPSAWRERGVKGYLELLDQAIT
WNNELGMYTIIDWHSMGNLKSEMFQNSMYHTSKGETFDFWRRVSERYNGI
NSVAFYEIFNEPTVFSGRLGIVSWAEWKAINEEAITIIQAHNPNAISLVA
GFNWAYDLREAAANPIERNNVAYVSHPYPQKVGAPYQANWERDFGFMADK
YPVFATEIGYQLASDKGAHIPVIDDGSYGPRITDYFAKKGISWVAWVFDP
DWSPQMIKSWDYEPTMQGEHFRKVMLKEN
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 B 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 M136 Y137 W310 S311
Binding residue
(residue number reindexed from 1)		H79 M128 Y129 W302 S303
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

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

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