Structure of PDB 1sa0 Chain D Binding Site BS02

Receptor Information
>1sa0 Chain D (length=419) 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
KLAVNMVPFPRLHFFMPGFAPLTSLTVPELTQQMFDAKNMMAACDPRHGR
YLTVAAVFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPR
GLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFT
EAESNMNDLVSEYQQYQDA
Ligand information
Ligand IDCN2
InChIInChI=1S/C22H25NO6S/c1-26-17-8-6-13-14(10-16(17)24)15(23-19(25)11-30)7-5-12-9-18(27-2)21(28-3)22(29-4)20(12)13/h6,8-10,15,30H,5,7,11H2,1-4H3,(H,23,25)/t15-/m0/s1
InChIKeyTYDIWMTWTXFWSY-HNNXBMFYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341COC1=CC=C2C(=CC1=O)[CH](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)CS
ACDLabs 10.04O=C(NC3C1=CC(=O)C(OC)=CC=C1c2c(cc(OC)c(OC)c2OC)CC3)CS
OpenEye OEToolkits 1.5.0COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3C(CC2)NC(=O)CS)OC
OpenEye OEToolkits 1.5.0COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3[C@H](CC2)NC(=O)CS)OC
CACTVS 3.341COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)CS
FormulaC22 H25 N O6 S
Name2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE
ChEMBL
DrugBankDB07574
ZINCZINC000029124025
PDB chain1sa0 Chain D Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1sa0 Insight into tubulin regulation from a complex with colchicine and a stathmin-like domain.
Resolution3.58 Å
Binding residue
(original residue number in PDB)		C241 L242 A250 L255 N258 A316 K352
Binding residue
(residue number reindexed from 1)		C238 L239 A247 L252 N255 A305 K341
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
View graph for
Cellular Component
External links
PDB RCSB:1sa0, PDBe:1sa0, PDBj:1sa0
PDBsum1sa0
PubMed15014504
UniProtQ6B856|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

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