Structure of PDB 3ckx Chain A Binding Site BS01

Receptor Information
>3ckx Chain A (length=277) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEELFTKLEKIGKGSFGEVFKGIDNRTQKVVAIKIIDLEEDEIEDIQQEI
TVLSQCDSPYVTKYYGSYLKDTKLWIIMEYLGGGSALDLLEPGPLDETQI
ATILREILKGLDYLHSEKKIHRDIKAANVLLSEHGEVKLADFGVAGQLTD
TQIKRNTFVGTPFWMAPEVIKQSAYDSKADIWSLGITAIELARGEPPHSE
LHPMKVLFLIPKNNPPTLEGNYSKPLKEFVEACLNKEPSFRPTAKELLKH
KFILRNAKKTSYLTELIDRYKRWKAEQ
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 chain3ckx Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ckx Crystal structure of sterile 20-like kinase 3 (MST3, STK24) in complex with staurosporine.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		I15 K17 V23 A36 M84 E85 Y86 L87 G90 S91 A133 L136 D147
Binding residue
(residue number reindexed from 1)		I11 K13 V19 A32 M78 E79 Y80 L81 G84 S85 A127 L130 D141
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D129 K131 A133 N134 D147 D156 T167
Catalytic site (residue number reindexed from 1) D123 K125 A127 N128 D141 D150 T161
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein 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:3ckx, PDBe:3ckx, PDBj:3ckx
PDBsum3ckx
PubMed
UniProtQ9Y6E0|STK24_HUMAN Serine/threonine-protein kinase 24 (Gene Name=STK24)

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