Structure of PDB 1sa1 Chain B Binding Site BS02

Receptor Information
>1sa1 Chain B (length=422) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYY
NEAAGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNW
AKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLL
ISKIREEYPDRIMNTFSVVPSPKVSDTVVEPYNATLSVHQLVENTDETYC
IDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLR
KLAVNMVPFPRLHFFMPGFAPLTQYRALTVPELTQQMFDAKNMMAACDPR
HGRYLTVAAVFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDI
PPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEM
EFTEAESNMNDLVSEYQQYQDA
Ligand information
Ligand IDPOD
InChIInChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
InChIKeyYJGVMLPVUAXIQN-XVVDYKMHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1cc(cc(c1OC)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)O)OCO4
CACTVS 3.341COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH](COC3=O)[CH](O)c4cc5OCOc5cc24
ACDLabs 10.04O=C4OCC5C(O)c2cc1OCOc1cc2C(c3cc(OC)c(OC)c(OC)c3)C45
OpenEye OEToolkits 1.5.0COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5C2C(=O)OC5)O)OCO4
CACTVS 3.341COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24
FormulaC22 H22 O8
Name9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-D][1,3]DIOXOL-6(5AH)-ONE;
PODOPHYLLOTOXIN
ChEMBLCHEMBL61
DrugBankDB01179
ZINCZINC000003861806
PDB chain1sa1 Chain B Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1sa1 Insight into tubulin regulation from a complex with colchicine and a stathmin-like domain.
Resolution4.2 Å
Binding residue
(original residue number in PDB)		C241 A250 K254 L255 N258 M259 A316 A317 V318 N350 K352
Binding residue
(residue number reindexed from 1)		C238 A247 K251 L252 N255 M256 A308 A309 V310 N342 K344
Annotation score1
Binding affinityBindingDB: IC50=460nM
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1sa1, PDBe:1sa1, PDBj:1sa1
PDBsum1sa1
PubMed15014504
UniProtQ6B856|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

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