Structure of PDB 8c1m Chain A Binding Site BS02

Receptor Information
>8c1m Chain A (length=263) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEH
QLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLS
KFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFG
WSVHAPSSRRTTLCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGK
PPFEANTYQETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLRE
VLEHPWITANSSK
Ligand information
Ligand IDT4X
InChIInChI=1S/C14H9F3O4/c15-14(16,17)21-12-3-1-8(2-4-12)9-5-10(13(19)20)7-11(18)6-9/h1-7,18H,(H,19,20)
InChIKeyGTYQGKSQYCEYBH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc(O)cc(c1)c2ccc(OC(F)(F)F)cc2
OpenEye OEToolkits 2.0.7c1cc(ccc1c2cc(cc(c2)O)C(=O)O)OC(F)(F)F
FormulaC14 H9 F3 O4
Name3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid
ChEMBL
DrugBank
ZINC
PDB chain8c1m Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8c1m Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
Resolution2.84 Å
Binding residue
(original residue number in PDB)		K166 E170 L178 R179 V182 Y199 H201
Binding residue
(residue number reindexed from 1)		K40 E44 L52 R53 V56 Y73 H75
Annotation score1
Enzymatic activity
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:0000212 meiotic spindle organization
GO:0000226 microtubule cytoskeleton organization
GO:0000278 mitotic cell cycle
GO:0006468 protein phosphorylation
GO:0007052 mitotic spindle organization
GO:0007098 centrosome cycle
GO:0007100 mitotic centrosome separation
GO:0051321 meiotic cell cycle

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8c1m, PDBe:8c1m, PDBj:8c1m
PDBsum8c1m
PubMed39190548
UniProtO14965|AURKA_HUMAN Aurora kinase A (Gene Name=AURKA)

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