Structure of PDB 5ap1 Chain A Binding Site BS02

Receptor Information

>5ap1 Chain A (length=272) Species: 9606 (Homo sapiens)

FQSMSVKGRIYSILKQIGSGGSSKVFQVLNEKKQIYAIKYVNLEEADNQT
LDSYRNEIAYLNKLQQHSDKIIRLYDYEITDQYIYMVMECGNIDLNSWLK
KKKSIDPWERKSYWKNMLEAVHTIHQHGIVHSDLKPANFLIVDGMLKLID
FGIANQMQPDTTSVVKDVGTVNYMPPEAIKDMSSKSKISPKSDVWSLGCI
LYYMTYGKTPFQQIINQISKLHAIIDPNHEIEFPDIPEKDLQDVLKCCLK
RDPKQRISIPELLAHPYVQIQT

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 5ap1 Chain A Residue 1801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ap1 Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): T675 S677
• Binding residue (residue number reindexed from 1): T161 S163
• Annotation score: 1

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 T170
• 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

External links

• PDB: RCSB:5ap1, PDBe:5ap1, PDBj:5ap1
• PDBsum: 5ap1
• PubMed: 26202014
• UniProt: P33981|TTK_HUMAN Dual specificity protein kinase TTK (Gene Name=TTK)