Structure of PDB 6btz Chain D Binding Site BS01

Receptor Information
>6btz Chain D (length=126) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IGGAVKLSISYRNGTLFIMVMHIKDLVTEDGADPNPYVKTYLLPDNHKTS
KRKTKISRKTRNPTFNEMLVYSGYSKETLRQRELQLSVLSAESLRENFFL
GGVTLPLKDFNLSKETVKWYQLTAAT
Ligand information
Ligand IDO4B
InChIInChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
InChIKeyXEZNGIUYQVAUSS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		C1COCCOCCOCCOCCOCCO1
ACDLabs 12.01O1CCOCCOCCOCCOCCOCC1
FormulaC12 H24 O6
Name1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE
ChEMBLCHEMBL155204
DrugBank
ZINCZINC000003861356
PDB chain6btz Chain A Residue 1706 [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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PDB6btz Molecular Basis for Membrane Recruitment by the PX and C2 Domains of Class II Phosphoinositide 3-Kinase-C2 alpha.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		V1675 W1677
Binding residue
(residue number reindexed from 1)		V117 W119
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.137: phosphatidylinositol 3-kinase.
2.7.1.153: phosphatidylinositol-4,5-bisphosphate 3-kinase.
2.7.1.154: phosphatidylinositol-4-phosphate 3-kinase.
External links
PDB RCSB:6btz, PDBe:6btz, PDBj:6btz
PDBsum6btz
PubMed30293811
UniProtO00443|P3C2A_HUMAN Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha (Gene Name=PIK3C2A)

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