Structure of PDB 7a17 Chain C Binding Site BS02

Receptor Information
>7a17 Chain C (length=319) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPKKIRVCVGTWNVNGKNQTLTDWLLDAPKLAGIQEFQDKRSKPTDIFAI
GFEEMVELNAGNIVSASTTNQKLWAVELQKTISRDNKYVLLASEQLVGVC
LFVFIRPQHAPFIRDVAVDTVKTGNKGAVAIRMLFHTTSLCFVCSHFAAG
QSQVKERNEDFIEIARKLSFPMGRMLFSHDYVFWCGDFNYRIDLPNEEVK
ELIRQQNWDSLIAGDQLINQKNAGQVFRGFLEGKVTFAPTYKYDLFSDDY
DTSEKCRTPAWTDRVLWRRRKWPFDRSAEDLDLLYTWTPGTLLHYGRAEL
KTSDHRPVVALIDIDIFEV
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 chain7a17 Chain C Residue 902 [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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PDB7a17 A structure of substrate-bound Synaptojanin1 provides new insights in its mechanism and the effect of disease mutations.
Resolution2.73 Å
Binding residue
(original residue number in PDB)		E591 H689
Binding residue
(residue number reindexed from 1)		E54 H146
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.36: phosphoinositide 5-phosphatase.
Gene Ontology
Molecular Function
GO:0016791 phosphatase activity
Biological Process
GO:0046856 phosphatidylinositol dephosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:7a17, PDBe:7a17, PDBj:7a17
PDBsum7a17
PubMed33349335
UniProtO43426|SYNJ1_HUMAN Synaptojanin-1 (Gene Name=SYNJ1)

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