Structure of PDB 6r6x Chain A Binding Site BS01

Receptor Information
>6r6x Chain A (length=330) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSGDVLSARYEIVDTLGEGAFGKVVECIDHKAGGRHVAVKIVKNVDRYCE
AARSEIQVLEHLNTTDPNSTFRCVQMLEWFEHHGHICIVFELLGLSTYDF
IKENGFLPFRLDHIRKMAYQICKSVNFLHSNKLTHTDLKPENILFVQSDY
TEAYNPKIKRDERTLINPDIKVVDFGSATYDDEHHSTLVSTRHYRAPEVI
LALGWSQPCDVWSIGCILIEYYLGFTVFPTHDSKEHLAMMERILGPLPKH
MIQKTRKRKYFHHDRLDWDEHSSAGRYVSRRCKPLKEFMLSQDVEHERLF
DLIQKMLEYDPAKRITLREALKHPFFDLLK
Ligand information
Ligand IDJU8
InChIInChI=1S/C13H12N4/c1-17-7-11(9-4-2-3-5-12(9)17)10-6-15-8-16-13(10)14/h2-8H,1H3,(H2,14,15,16)
InChIKeyIQUSYKXSEAUSFE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cn1cc(c2c1cccc2)c3cncnc3N
CACTVS 3.385Cn1cc(c2cncnc2N)c3ccccc13
FormulaC13 H12 N4
Name5-(1-methylindol-3-yl)pyrimidin-4-amine
ChEMBL
DrugBank
ZINC
PDB chain6r6x Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6r6x Crystal structure of di-phosphorylated human CLK1 in complex with 5-(1-methyl-1H-indol-3-yl)pyrimidin-4-amine
Resolution2.05 Å
Binding residue
(original residue number in PDB)		K191 L295 D325
Binding residue
(residue number reindexed from 1)		K40 L144 D174
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D288 K290 N293 D325 T342
Catalytic site (residue number reindexed from 1) D137 K139 N142 D174 T191
Enzyme Commision number 2.7.12.1: dual-specificity 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:6r6x, PDBe:6r6x, PDBj:6r6x
PDBsum6r6x
PubMed
UniProtP49759|CLK1_HUMAN Dual specificity protein kinase CLK1 (Gene Name=CLK1)

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