Structure of PDB 5ry1 Chain A Binding Site BS01

Receptor Information
>5ry1 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 IDWO1
InChIInChI=1S/C11H15NO3/c1-12-6-2-4-9(8-12)15-11(13)10-5-3-7-14-10/h3,5,7,9H,2,4,6,8H2,1H3/t9-/m1/s1
InChIKeyKTNFUDPJGVBBNF-SECBINFHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1CCC[C@H](C1)OC(=O)c2ccco2
CACTVS 3.385CN1CCC[CH](C1)OC(=O)c2occc2
ACDLabs 12.01c2cc(C(=O)OC1CCCN(C)C1)oc2
OpenEye OEToolkits 2.0.7CN1CCCC(C1)OC(=O)c2ccco2
CACTVS 3.385CN1CCC[C@H](C1)OC(=O)c2occc2
FormulaC11 H15 N O3
Name(3R)-1-methylpiperidin-3-yl furan-2-carboxylate
ChEMBL
DrugBank
ZINCZINC000000187980
PDB chain5ry1 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5ry1 INPP5D PanDDA analysis group deposition
Resolution1.52 Å
Binding residue
(original residue number in PDB)		K627 E841
Binding residue
(residue number reindexed from 1)		K231 E445
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:5ry1, PDBe:5ry1, PDBj:5ry1
PDBsum5ry1
PubMed38309262
UniProtQ92835|SHIP1_HUMAN Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 (Gene Name=INPP5D)

[Back to BioLiP]