Structure of PDB 3w81 Chain B Binding Site BS02

Receptor Information
>3w81 Chain B (length=616) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EAPHLVHVDAARALWPLRRFWRSTGFCPPLPHSQADQYVLSWDQQLNLAY
VGAVPHRGIKQVRTHWLLELVTTRGSTGRGLSYNFTHLDGYLDLLRENQL
LPGFELMGSASGHFTDFEDKQQVFEWKDLVSSLARRYIGRYGLAHVSKWN
FETWNEPDHHDFDNVSMTMQGFLNYYDACSEGLRAASPALRLGGPGDSFH
TPPRSPLSWGLLRHCHDGTNFFTGEAGVRLDYISLHRKGARSSISILEQE
KVVAQQIRQLFPKFADTPIYNDEADPLVGWSLPQPWRADVTYAAMVVKVI
AQHQNLLLANTTSAFPYALLSNDNAFLSYHPHPFAQRTLTARFQVNNTRP
PHVQLLRKPVLTAMGLLALLDEEQLWAEVSQAGTVLDSNHTVGVLASAHR
PQGPADAWRAAVLIYASDDTRAHPNRSVAVTLRLRGVPPGPGLVYVTRYL
DNGLCSPDGEWRRLGRPVFPTAEQFRRMRAAEDPVAAAPRPLPAGGRLTL
RPALRLPSLLLVHVCARPEKPPGQVTRLRALPLTQGQLVLVWSDEHVGSK
CLWTYEIQFSQDGKAYTPVSRKPSTFNLFVFSPDTGAVSGSYRVRALDYW
ARPGPFSDPVPYLEVP
Ligand information
Ligand IDPO3
InChIInChI=1S/O3P/c1-4(2)3/q-3
InChIKeyAQSJGOWTSHOLKH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P-]([O-])=O
ACDLabs 10.04[O-][PH2-]([O-])=O
OpenEye OEToolkits 1.5.0[O-][P-](=O)[O-]
FormulaO3 P
NamePHOSPHITE ION
ChEMBL
DrugBank
ZINC
PDB chain3w81 Chain B Residue 723 [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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PDB3w81 Human alpha-L-iduronidase uses its own N-glycan as a substrate-binding and catalytic module
Resolution2.3 Å
Binding residue
(original residue number in PDB)		W402 A403
Binding residue
(residue number reindexed from 1)		W376 A377
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.76: L-iduronidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3w81, PDBe:3w81, PDBj:3w81
PDBsum3w81
PubMed23959878
UniProtP35475|IDUA_HUMAN Alpha-L-iduronidase (Gene Name=IDUA)

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