Structure of PDB 5rx7 Chain A Binding Site BS01

Receptor Information
>5rx7 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 IDUWV
InChIInChI=1S/C10H10FN3/c11-9-3-1-2-4-10(9)12-7-8-5-6-13-14-8/h1-6,12H,7H2,(H,13,14)
InChIKeyIREDHAFKGFKXRR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01n2nc(CNc1ccccc1F)cc2
OpenEye OEToolkits 2.0.7c1ccc(c(c1)NCc2cc[nH]n2)F
CACTVS 3.385Fc1ccccc1NCc2cc[nH]n2
FormulaC10 H10 F N3
Name2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline
ChEMBL
DrugBank
ZINCZINC000020350772
PDB chain5rx7 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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PDB5rx7 INPP5D PanDDA analysis group deposition
Resolution1.36 Å
Binding residue
(original residue number in PDB)		L614 L620 R623 R624
Binding residue
(residue number reindexed from 1)		L218 L224 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

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Molecular Function
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Biological Process
External links
PDB RCSB:5rx7, PDBe:5rx7, PDBj:5rx7
PDBsum5rx7
PubMed38309262
UniProtQ92835|SHIP1_HUMAN Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 (Gene Name=INPP5D)

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