Structure of PDB 4xut Chain A Binding Site BS02

Receptor Information
>4xut Chain A (length=161) Species: 198119 (Paenibacillus barcinonensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALFKADFEDGNIGNWRARGTEKLEVVSGIGHNSNRSLKTSSRSETYHGPL
VEVLPYLQKGSTVHISFWAMYDEGPATQVINGSLEKEFNRDTANLEYAMF
ASTTLNKGQWKKIEADIIVPAESTGISGLRMYAETPWKQSSEVTETDTIP
FYVDDVQITAT
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 chain4xut Chain D Residue 2 [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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PDB4xut Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R189 Y217 Y268 Y303 E305 W308
Binding residue
(residue number reindexed from 1)		R18 Y46 Y97 Y132 E134 W137
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.8: endo-1,4-beta-xylanase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds

View graph for
Molecular Function
External links
PDB RCSB:4xut, PDBe:4xut, PDBj:4xut
PDBsum4xut
PubMed26001782
UniProtO69230|XYNC_PAEBA Endo-1,4-beta-xylanase C (Gene Name=xynC)

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