Structure of PDB 8e4t Chain A Binding Site BS02

Receptor Information
>8e4t Chain A (length=268) Species: 81824 (Monosiga brevicollis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKEPRELNREWLIVLSELGQGAFGIVYEASLSEPKAPEIQVAAKSLRKDA
MDNEREELLEEALVMAQMEHANVVGLIGVITKGRPIYVVLEHMRNGSLKD
YVMNKTCTPAQQVTWSRQVASGMAHIHSLGFIHRDLAARNVLLSASLTAK
VADFGLARESTDSRGGNVPVRWTAPEALEDNIFSEKSDVWAFGVLMYEVY
TKAAMPYTGWNNQRVWIEVTNGFRLPCPADCPLPVFKIMSMCWLHDRHER
PSFETLVKALAALETDSD
Ligand information
Ligand IDSTU
InChIInChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
InChIKeyHKSZLNNOFSGOKW-FYTWVXJKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CACTVS 3.341CN[CH]1C[CH]2O[C](C)([CH]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35
CACTVS 3.341CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35
ACDLabs 10.04O=C5NCc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C
OpenEye OEToolkits 1.5.0C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
FormulaC28 H26 N4 O3
NameSTAUROSPORINE
ChEMBLCHEMBL388978
DrugBankDB02010
ZINCZINC000003814434
PDB chain8e4t Chain A Residue 1902 [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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PDB8e4t Crystal structure of the kinase domain of a receptor tyrosine kinase from a choanoflagellate, Monosiga brevicollis.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		G1701 G1702 V1706 N1748
Binding residue
(residue number reindexed from 1)		G165 G166 V170 N212
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.10.1: receptor protein-tyrosine kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004713 protein tyrosine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8e4t, PDBe:8e4t, PDBj:8e4t
PDBsum8e4t
PubMed37310965
UniProtA9VBW0

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