Structure of PDB 8pdh Chain AAA Binding Site BS01

Receptor Information
>8pdh Chain AAA (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 IDYBU
InChIInChI=1S/C9H7N3O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-
InChIKeyYVGIABMOZOZHSD-POHAHGRESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C\c1nnc(o1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2nnc(o2)C=N
CACTVS 3.385N=Cc1oc(nn1)c2ccccc2
FormulaC9 H7 N3 O
Name(5-phenyl-1,3,4-oxadiazol-2-yl)methanimine
ChEMBL
DrugBank
ZINC
PDB chain8pdh Chain AAA 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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PDB8pdh The phosphatase and C2 domains of SHIP1 with covalent Z1742148362
Resolution1.45 Å
Binding residue
(original residue number in PDB)		H503 C505 G565 D566
Binding residue
(residue number reindexed from 1)		H107 C109 G169 D170
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:8pdh, PDBe:8pdh, PDBj:8pdh
PDBsum8pdh
PubMed38309262
UniProtQ92835|SHIP1_HUMAN Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 (Gene Name=INPP5D)

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