Structure of PDB 1byg Chain A Binding Site BS01

Receptor Information
>1byg Chain A (length=246) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GWALNMKELKLLQTIGKGEFGDVMLGDYRGNKVAVKCIKNDAQAFLAEAS
VMTQLRHSNLVQLLGVIVEEGLYIVTEYMAKGSLVDYLRSRGRSVLGGDC
LLKFSLDVCEAMEYLEGNNFVHRDLAARNVLVSEDNVAKVSDFGLLPVKW
TAPEALREKKFSTKSDVWSFGILLWEIYSFGRVPYPRIPLKDVVPRVEKG
YKMDAPDGCPPAVYEVMKNCWHLDAAMRPSFLQLREQLEHIKTHEL
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 chain1byg Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1byg Structure of the protein tyrosine kinase domain of C-terminal Src kinase (CSK) in complex with staurosporine.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		I201 K203 V209 A220 T266 E267 Y268 M269 G272 R318 N319 L321
Binding residue
(residue number reindexed from 1)		I15 K17 V23 A34 T76 E77 Y78 M79 G82 R128 N129 L131
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D314 A316 R318 N319 D332 P349
Catalytic site (residue number reindexed from 1) D124 A126 R128 N129 D142 P147
Enzyme Commision number 2.7.10.2: non-specific 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

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Molecular Function
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Biological Process
External links
PDB RCSB:1byg, PDBe:1byg, PDBj:1byg
PDBsum1byg
PubMed9878439
UniProtP41240|CSK_HUMAN Tyrosine-protein kinase CSK (Gene Name=CSK)

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