Structure of PDB 4xzw Chain A Binding Site BS01

Receptor Information
>4xzw Chain A (length=305) Species: 77133,575526 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTPVAKNGQLQVVGTALLNRDGKPFQLRGISTHGLQWFGQFANKDAFQTL
RDDWKANVVRLAMYTDPNANGYIAQPEWLKAKVKEGVEAAKELGMYVIID
WHILNDNDPNLYKEQAKRFFAEMAREYGNTPNVIYEIANEPNGDVTWEEK
IRPYADEVIRTIRSIDRDNLIIVGTGTWSQDVDDVASDPLPYKNIMYALH
FYAGTHGQFLRDKANYALSKGTPIFVTEWGTSDASGDGGVFLDQSREWLK
YLDSKTISWVNWSLCDKNEASAALRPGADPHGGWGDDHLSDSGRFIKAKL
IEALE
Ligand information
Ligand IDO4B
InChIInChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
InChIKeyXEZNGIUYQVAUSS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		C1COCCOCCOCCOCCOCCO1
ACDLabs 12.01O1CCOCCOCCOCCOCCOCC1
FormulaC12 H24 O6
Name1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE
ChEMBLCHEMBL155204
DrugBank
ZINCZINC000003861356
PDB chain4xzw Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xzw Endo-glucanase chimera C10
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N217 L220 S256 K257
Binding residue
(residue number reindexed from 1)		N215 L218 S254 K255
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4xzw, PDBe:4xzw, PDBj:4xzw
PDBsum4xzw
PubMed
UniProtC5H6X3;
M4I2R5

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