Structure of PDB 5rxv Chain A Binding Site BS01

Receptor Information
>5rxv 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 IDWLP
InChIInChI=1S/C6H5ClS/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKeyPWOBDMNCYMQTCE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1cccc(c1Cl)S
CACTVS 3.385Sc1ccccc1Cl
OpenEye OEToolkits 2.0.7c1ccc(c(c1)S)Cl
FormulaC6 H5 Cl S
Name2-chlorobenzene-1-thiol
ChEMBLCHEMBL3560357
DrugBank
ZINCZINC000000404801
PDB chain5rxv 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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PDB5rxv INPP5D PanDDA analysis group deposition
Resolution1.5 Å
Binding residue
(original residue number in PDB)		C505 A563 L564 G565 K567
Binding residue
(residue number reindexed from 1)		C109 A167 L168 G169 K171
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5rxv, PDBe:5rxv, PDBj:5rxv
PDBsum5rxv
PubMed38309262
UniProtQ92835|SHIP1_HUMAN Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 (Gene Name=INPP5D)

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