Structure of PDB 3hkd Chain D Binding Site BS02

Receptor Information
>3hkd Chain D (length=427) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYY
NEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNW
AKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLL
ISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYS
IDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLR
KLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDSKNMMA
ACDPRHGRYLTVAAVFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKT
AVCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGE
GMDEMEFTEAESNMNDLVSEYQQYQDA
Ligand information
Ligand IDN16
InChIInChI=1S/C19H18N2O2/c1-13(20-15-10-6-3-7-11-15)17-18(22)16(21-19(17)23)12-14-8-4-2-5-9-14/h2-11,16,20H,12H2,1H3,(H,21,23)/b17-13-/t16-/m0/s1
InChIKeyKWSXUGYAGMSUTN-MUBYSKIDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=C1C(=O)C(NC1=O)Cc2ccccc2)Nc3ccccc3
CACTVS 3.341CC(Nc1ccccc1)=C2C(=O)N[CH](Cc3ccccc3)C2=O
OpenEye OEToolkits 1.5.0C/C(=C/1\C(=O)[C@@H](NC1=O)Cc2ccccc2)/Nc3ccccc3
ACDLabs 10.04O=C2C(=C(\Nc1ccccc1)C)/C(=O)C(N2)Cc3ccccc3
CACTVS 3.341C\C(Nc1ccccc1)=C/2C(=O)N[C@@H](Cc3ccccc3)C/2=O
FormulaC19 H18 N2 O2
Name(3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione
ChEMBL
DrugBank
ZINCZINC000003873948
PDB chain3hkd Chain D Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hkd Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Resolution3.7 Å
Binding residue
(original residue number in PDB)		F169 E200 Y202 V238 L242 L248 L252 L255 I378
Binding residue
(residue number reindexed from 1)		F166 E197 Y199 V235 L239 L245 L249 L252 I367
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005200 structural constituent of cytoskeleton
GO:0005525 GTP binding
GO:0046872 metal ion binding
Biological Process
GO:0000226 microtubule cytoskeleton organization
GO:0000278 mitotic cell cycle
GO:0007017 microtubule-based process
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005874 microtubule

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Molecular Function
View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:3hkd, PDBe:3hkd, PDBj:3hkd
PDBsum3hkd
PubMed19666559
UniProtD0VWY9

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