Structure of PDB 4xut Chain A Binding Site BS01

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 1 [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
Binding residue
(residue number reindexed from 1)		R18 Y46
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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