Structure of PDB 6i2y Chain A Binding Site BS01

Receptor Information
>6i2y Chain A (length=279) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EHVRRDLDPNEVWEIVGELGDGAFGKVYKAKNKETGALAAAKVIETKSEE
ELEDYIVEIEILATCDHPYIVKLLGAYYHDGKLWIMIEFCPGGAVDAIML
ELDRGLTEPQIQVVCRQMLEALNFLHSKRIIHRDLKAGNVLMTLEGDIRL
ADFGVSAKNIGTPYWMAPEVVMCEPYDYKADIWSLGITLIEMAQIEPPHH
ELNPMRVLLKIAKSDPPTLLTPSKWSVEFRDFLAIALDKNPETRPSAAQL
LEHPFVSSITSNKALRELVAEAKAEVMEE
Ligand information
Ligand ID88Z
InChIInChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
InChIKeyCXQHYVUVSFXTMY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F
CACTVS 3.352COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3F)ccnc2cc1OCCCN6CCOCC6
FormulaC34 H34 F2 N4 O6
NameN-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
ChEMBLCHEMBL1230609
DrugBankDB12307
ZINCZINC000043204048
PDB chain6i2y Chain A Residue 2000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6i2y Human STK10 bound to GW683134
Resolution2.56 Å
Binding residue
(original residue number in PDB)		L42 A63 L85 I110 C113 H155 L164 A174 D175 F176
Binding residue
(residue number reindexed from 1)		L19 A40 L62 I87 C90 H132 L141 A151 D152 F153
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D157 K159 G161 N162 D175 T195
Catalytic site (residue number reindexed from 1) D134 K136 G138 N139 D152 T162
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine 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:6i2y, PDBe:6i2y, PDBj:6i2y
PDBsum6i2y
PubMed
UniProtO94804|STK10_HUMAN Serine/threonine-protein kinase 10 (Gene Name=STK10)

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