Structure of PDB 8pdj Chain AAA Binding Site BS01

Receptor Information
>8pdj Chain AAA (length=462) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEQPEPDMITIFIGTWNMGNAPPPKKITSWFLSKGQGKTRDDSADYIPHD
IYVIGTQEDPLSEKEWLEILKHSLQEITSVTFKTVAIHTLWNIRIVVLAK
PEHENRISHICTDNVKTGIANTLGNKGAVGVSFMFNGTSLGFVNSHLTSG
SEKKLRRNQNYMNILRFLALGDKKLSPFNITHRFTHLFWFGDLNYRVDLP
TWEAETIIQKIKQQQYADLLSHDQLLTERREQKVFLHFEEEEITFAPTYR
FERLTRDKYAYTKQKATGMKYNLPSWCDRVLWKSYPLVHVVCQSYGSTSD
IMTSDHSPVFATFEAGVTSQFVSKNGPGTVDSQGQIEFLRCYATLKTKSQ
TKFYLEFHSSCLESFVKSQEGENEEGSEGELVVKFGETLPKLKPIISDPE
YLLDQHILISIKSSDSDESYGEGCIALRLEATETQLPIYTPLTHHGELTG
HFQGEIKLQTSQ
Ligand information
Ligand IDYC5
InChIInChI=1S/C6H6FNS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChIKeyMAOWDGRYXPTHRM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1S)F)N
CACTVS 3.385Nc1ccc(S)cc1F
FormulaC6 H6 F N S
Name4-azanyl-3-fluoranyl-benzenethiol
ChEMBL
DrugBank
ZINCZINC000020247140
PDB chain8pdj 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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PDB8pdj The phosphatase and C2 domains of SHIP1 with covalent Z56948267
Resolution1.4 Å
Binding residue
(original residue number in PDB)		C505 A563 L564 G565 K567
Binding residue
(residue number reindexed from 1)		C111 A169 L170 G171 K173
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:8pdj, PDBe:8pdj, PDBj:8pdj
PDBsum8pdj
PubMed38309262
UniProtQ92835|SHIP1_HUMAN Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 (Gene Name=INPP5D)

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