Structure of PDB 4xut Chain A Binding Site BS03

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4xut Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		D177 E179 S204 R206 D325
Binding residue
(residue number reindexed from 1)		D6 E8 S33 R35 D154
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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