Structure of PDB 5ap5 Chain A Binding Site BS02

Receptor Information
>5ap5 Chain A (length=252) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FQSMSVKGRIYSILKQIGSGGSSKVFQVLNEKKQIYAIKYVNLEEADNQT
LDSYRNEIAYLNKLQQHSDKIIRLYDYEITDQYIYMVMECGNIDLNGWLK
KKKSIDPWERKSYWKNMLEAVHTIHQHGIVHSDLKPANFLIVDGMLKLID
FGIAGTVNYMPPEAIKDMISPKSDVWSLGCILYYMTYGKTPFQQIINQIS
KLHAIIDPNHEIEFPDIPEKDLQDVLKCCLKRDPKQRISIPELLAHPYVQ
IQ
Ligand information
Ligand ID1KA
InChIInChI=1S/C4H8O3/c5-1-3-7-4-2-6/h1,6H,2-4H2
InChIKeyDSGGHBUAHUMMHN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(COCC=O)O
ACDLabs 12.01O=CCOCCO
CACTVS 3.370OCCOCC=O
FormulaC4 H8 O3
Name(2-hydroxyethoxy)acetaldehyde
ChEMBL
DrugBank
ZINCZINC000005113639
PDB chain5ap5 Chain A Residue 1796 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ap5 Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		K553 Y568 E571 A668
Binding residue
(residue number reindexed from 1)		K39 Y54 E57 A154
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D647 K649 N652 D664 T686
Catalytic site (residue number reindexed from 1) D133 K135 N138 D150 T156
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:5ap5, PDBe:5ap5, PDBj:5ap5
PDBsum5ap5
PubMed26202014
UniProtP33981|TTK_HUMAN Dual specificity protein kinase TTK (Gene Name=TTK)

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