Structure of PDB 5ryj Chain A Binding Site BS01

Receptor Information
>5ryj Chain A (length=460) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPEPDMITIFIGTWNMGNAPPPKKITSWFLSKGQGKTRDDSADYIPHDIY
VIGTQEDPLSEKEWLEILKHSLQEITSVTFKTVAIHTLWNIRIVVLAKPE
HENRISHICTDNVKTGIANTLGNKGAVGVSFMFNGTSLGFVNSHLTSGSE
KKLRRNQNYMNILRFLALGDKKLSPFNITHRFTHLFWFGDLNYRVDLPTW
EAETIIQKIKQQQYADLLSHDQLLTERREQKVFLHFEEEEITFAPTYRFE
RLTRDKYAYTKQKATGMKYNLPSWCDRVLWKSYPLVHVVCQSYGSTSDIM
TSDHSPVFATFEAGVTSQFVSKNGPGTVDSQGQIEFLRCYATLKTKSQTK
FYLEFHSSCLESFVKSQEGENEEGSEGELVVKFGETLPKLKPIISDPEYL
LDQHILISIKSSDSDESYGEGCIALRLEATETQLPIYTPLTHHGELTGHF
QGEIKLQTSQ
Ligand information
Ligand IDWOD
InChIInChI=1S/C9H13N3O/c1-2-6(1)8-11-9(13-12-8)7-3-4-10-5-7/h6-7,10H,1-5H2/t7-/m1/s1
InChIKeyUHWKRAJPWOGTQP-SSDOTTSWSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C1C(CNC1)c3onc(C2CC2)n3
OpenEye OEToolkits 2.0.7C1CC1c2nc(on2)C3CCNC3
CACTVS 3.385C1C[C@H](CN1)c2onc(n2)C3CC3
CACTVS 3.385C1C[CH](CN1)c2onc(n2)C3CC3
OpenEye OEToolkits 2.0.7C1CNC[C@@H]1c2nc(no2)C3CC3
FormulaC9 H13 N3 O
Name3-cyclopropyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
ChEMBL
DrugBank
ZINCZINC000062119632
PDB chain5ryj Chain A Residue 901 [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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PDB5ryj INPP5D PanDDA analysis group deposition
Resolution1.42 Å
Binding residue
(original residue number in PDB)		Y440 E470 I471 T472 S473
Binding residue
(residue number reindexed from 1)		Y44 E74 I75 T76 S77
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.36: phosphoinositide 5-phosphatase.
3.1.3.56: inositol-polyphosphate 5-phosphatase.
3.1.3.86: phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase.
Gene Ontology
Molecular Function
GO:0016791 phosphatase activity
Biological Process
GO:0046856 phosphatidylinositol dephosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5ryj, PDBe:5ryj, PDBj:5ryj
PDBsum5ryj
PubMed38309262
UniProtQ92835|SHIP1_HUMAN Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 (Gene Name=INPP5D)

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