Structure of PDB 6y6d Chain D Binding Site BS03

Receptor Information
>6y6d Chain D (length=421) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVY
YNEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNN
WAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTL
LISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETY
CIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADL
RKLAVNMVPFPRLHFFMPGFAPLLTVPELTQQMFDSKNMMAACDPRHGRY
LTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRG
LKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTE
AESNMNDLVSEYQQYQDATAD
Ligand information
Ligand IDOBQ
InChIInChI=1S/C21H22N2O6/c1-23-7-6-10-8-13-19(28-9-27-13)20(26-3)14(10)17(23)18-11-4-5-12(25-2)16(22)15(11)21(24)29-18/h4-5,8,17-18H,6-7,9,22H2,1-3H3/t17-,18+/m1/s1
InChIKeyWPUKOXIOPURGHT-MSOLQXFVSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1ccc2[CH](OC(=O)c2c1N)[CH]3N(C)CCc4cc5OCOc5c(OC)c34
OpenEye OEToolkits 2.0.7CN1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)N)OC)OC)OCO3
CACTVS 3.385COc1ccc2[C@H](OC(=O)c2c1N)[C@@H]3N(C)CCc4cc5OCOc5c(OC)c34
OpenEye OEToolkits 2.0.7CN1CCc2cc3c(c(c2C1C4c5ccc(c(c5C(=O)O4)N)OC)OC)OCO3
FormulaC21 H22 N2 O6
Name(3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one
ChEMBLCHEMBL376130
DrugBank
ZINCZINC000013675153
PDB chain6y6d Chain D Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6y6d Structural Basis of Noscapine Activation for Tubulin Binding.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C241 L248 A250 L255 N258 M259 A316 I318 K352 I378
Binding residue
(residue number reindexed from 1)		C239 L246 A248 L253 N256 M257 A304 I306 K340 I358
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
GO:0046982 protein heterodimerization activity
Biological Process
GO:0000226 microtubule cytoskeleton organization
GO:0000278 mitotic cell cycle
GO:0007017 microtubule-based process
GO:0007399 nervous system development
GO:1902669 positive regulation of axon guidance
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005874 microtubule
GO:0015630 microtubule cytoskeleton

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6y6d, PDBe:6y6d, PDBj:6y6d
PDBsum6y6d
PubMed32657585
UniProtQ6B856|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

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