Structure of PDB 5ca1 Chain B Binding Site BS02

Receptor Information
>5ca1 Chain B (length=427) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYY
NEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNW
AKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLL
ISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYC
IDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLR
KLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDSKNMMA
ACDPRHGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKT
AVCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGE
GMDEMEFTEAESNMNDLVSEYQQYQDA
Ligand information
Ligand IDNZO
InChIInChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)
InChIKeyKYRVNWMVYQXFEU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(c2cc1c(nc(NC(=O)OC)n1)cc2)c3sccc3
OpenEye OEToolkits 1.5.0COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3
CACTVS 3.341COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3sccc3
FormulaC14 H11 N3 O3 S
Namenocodazole;
methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate
ChEMBLCHEMBL9514
DrugBankDB08313
ZINCZINC000000056509
PDB chain5ca1 Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ca1 Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Resolution2.401 Å
Binding residue
(original residue number in PDB)		N165 E198 Y200 V236 T237 L246 L250 L253 A314 A315 K350 T351 A352
Binding residue
(residue number reindexed from 1)		N164 E197 Y199 V235 T236 L245 L249 L252 A313 A314 K349 T350 A351
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005200 structural constituent of cytoskeleton
GO:0005509 calcium ion binding
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
GO:0031115 negative regulation of microtubule polymerization
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005874 microtubule

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5ca1, PDBe:5ca1, PDBj:5ca1
PDBsum5ca1
PubMed26462166
UniProtP32882|TBB2_CHICK Tubulin beta-2 chain

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