Structure of PDB 8pdi Chain A Binding Site BS01

Receptor Information
>8pdi Chain A (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 IDYBZ
InChIInChI=1S/C9H7N3S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-
InChIKeyQVNBGQAFZXYKBT-POHAHGRESA-N
SMILES
SoftwareSMILES
CACTVS 3.385N=Cc1sc(nn1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2nnc(s2)C=N
OpenEye OEToolkits 2.0.7[H]/N=C\c1nnc(s1)c2ccccc2
FormulaC9 H7 N3 S
Name(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
ChEMBL
DrugBank
ZINC
PDB chain8pdi 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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PDB8pdi The phosphatase and C2 domains of SHIP1 with covalent Z1763271112
Resolution1.3 Å
Binding residue
(original residue number in PDB)		H503 C505 G565 D566
Binding residue
(residue number reindexed from 1)		H109 C111 G171 D172
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:8pdi, PDBe:8pdi, PDBj:8pdi
PDBsum8pdi
PubMed38309262
UniProtQ92835|SHIP1_HUMAN Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 (Gene Name=INPP5D)

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