Structure of PDB 4wu2 Chain A Binding Site BS02

Receptor Information
>4wu2 Chain A (length=313) Species: 971 (Selenomonas ruminantium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVTEPVGSYARAERPQDFEGFVWRLDNDGKEALPRNFRTSADALRAPEKK
FHLDAAYVPSREGMDALHISGSSAFTPAQLKNVAAKLREKTAGPIYDVDL
RQESHGYLDGIPVSWYGERDWANLGKSQHEALADERHRLHAALHKTVYIA
PLGKHKLPEGGEVRRVQKVQTEQEVAEAAGMRYFRIAATDHVWPTPENID
RFLAFYRTLPQDAWLHFHSEAGVGRTTAFMVMTDMLKNPSVSLKDILYRQ
HEIGGFYYGEFPIKTKDKDSWKTKYYREKIVMIEQFYRYVQENRADGYQT
PWSVWLKSHPAKA
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4wu2 Chain A Residue 402 [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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PDB4wu2 Substrate binding in protein-tyrosine phosphatase-like inositol polyphosphatases.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		S252 E253 A254 G255 G257 R258
Binding residue
(residue number reindexed from 1)		S219 E220 A221 G222 G224 R225
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F51
Catalytic site (residue number reindexed from 1) F18
Enzyme Commision number 3.1.3.8: 3-phytase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:4wu2, PDBe:4wu2, PDBj:4wu2
PDBsum4wu2
PubMed
UniProtQ7WUJ1

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