Structure of PDB 6ta3 Chain K Binding Site BS01

Receptor Information
>6ta3 Chain K (length=334) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGKNIQVVVRCRPFNLAERKASAHSIVECDPVRKEVSVRTGGLADKSSRK
TYTFDMVFGASTKQIDVYRSVVCPILDEVIMGYNCTIFAYGQTGTGKTFT
MEGGIIPRTLHQIFEKLTDNGTEFSVKVSLLEIYNEELFDLLNPSSDVSE
RLQMFDDPRNKRGVIIKGLEEITVHNKDEVYQILEKGAAKRTTAATLMNA
YSSRSHSVFSVTIHMKETELVKIGKLNLVDLAGSENIGRSGAVDKRAREA
GNINQSLLTLGRVITALVERTPHVPYRESKLTRILQDSLGGRTRTSIIAT
ISPASLNLEETLSTLEYAHRAKNILNKPEVNQKL
Ligand information
Ligand IDMZK
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
InChIKeyWNVWLPPJRMIRBG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385FC(F)(F)c1ccc(cc1)c2ccc3NC(=O)CCc3c2
OpenEye OEToolkits 2.0.7c1cc(ccc1c2ccc3c(c2)CCC(=O)N3)C(F)(F)F
FormulaC16 H12 F3 N O
Name6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one
ChEMBLCHEMBL1222153
DrugBank
ZINCZINC000058582132
PDB chain6ta3 Chain K Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6ta3 Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		Y104 L292 G296 T300 E345 S348 Y352 R355
Binding residue
(residue number reindexed from 1)		Y90 L257 G261 T265 E310 S313 Y317 R320
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003777 microtubule motor activity
GO:0005524 ATP binding
GO:0008017 microtubule binding
Biological Process
GO:0007018 microtubule-based movement

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Molecular Function
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Biological Process
External links
PDB RCSB:6ta3, PDBe:6ta3, PDBj:6ta3
PDBsum6ta3
PubMed32084356
UniProtP52732|KIF11_HUMAN Kinesin-like protein KIF11 (Gene Name=KIF11)

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