Structure of PDB 5ryk Chain A Binding Site BS01

Receptor Information
>5ryk 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 IDWOJ
InChIInChI=1S/C7H16N2O2S/c1-6-5-9(12(2,10)11)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7+/m0/s1
InChIKeyFRNHPJXWQSBQMR-NKWVEPMBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH]1CN(CC[CH]1N)[S](C)(=O)=O
OpenEye OEToolkits 2.0.7C[C@H]1CN(CC[C@H]1N)S(=O)(=O)C
CACTVS 3.385C[C@H]1CN(CC[C@H]1N)[S](C)(=O)=O
ACDLabs 12.01CC1CN(CCC1N)S(C)(=O)=O
OpenEye OEToolkits 2.0.7CC1CN(CCC1N)S(=O)(=O)C
FormulaC7 H16 N2 O2 S
Name(3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine
ChEMBL
DrugBank
ZINCZINC000101638850
PDB chain5ryk 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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PDB5ryk INPP5D PanDDA analysis group deposition
Resolution1.55 Å
Binding residue
(original residue number in PDB)		R623 R624
Binding residue
(residue number reindexed from 1)		R227 R228
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:5ryk, PDBe:5ryk, PDBj:5ryk
PDBsum5ryk
PubMed38309262
UniProtQ92835|SHIP1_HUMAN Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 (Gene Name=INPP5D)

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