Structure of PDB 5syc Chain B Binding Site BS02

Receptor Information
>5syc Chain B (length=426) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVY
YNEAAGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNN
WAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTL
LISKIREEYPDRIMNTFSVVPSPKVSDTVVEPYNATLSVHQLVENTDETY
CIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADL
RKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDAKNMM
AACDPRHGRYLTVAAVFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVK
TAVCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTG
EGMDEMEFTEAESNMNDLVSEYQQYQ
Ligand information
Ligand IDPOU
InChIInChI=1S/C27H48O11/c1-8-16(14-28)9-15(2)19-10-17(34-5)13-22(29)26(3,4)27(33)24(31)21(36-7)12-18(38-27)11-20(35-6)23(30)25(32)37-19/h9,16-24,28-31,33H,8,10-14H2,1-7H3/b15-9-/t16-,17-,18+,19+,20-,21-,22+,23+,24-,27+/m1/s1
InChIKeyNETARJWZTMGMRM-QOXVJYTGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)[C]2(O)O[CH](C[CH](OC)[CH](O)C(=O)O1)C[CH](OC)[CH]2O)OC
OpenEye OEToolkits 1.7.6CC[C@@H](CO)/C=C(/C)\[C@@H]1C[C@H](C[C@@H](C([C@@]2([C@@H]([C@@H](C[C@@H](O2)C[C@H]([C@@H](C(=O)O1)O)OC)OC)O)O)(C)C)O)OC
OpenEye OEToolkits 1.7.6CCC(CO)C=C(C)C1CC(CC(C(C2(C(C(CC(O2)CC(C(C(=O)O1)O)OC)OC)O)O)(C)C)O)OC
CACTVS 3.385CC[C@@H](CO)\C=C(\C)[C@@H]1C[C@H](C[C@H](O)C(C)(C)[C@@]2(O)O[C@@H](C[C@@H](OC)[C@H](O)C(=O)O1)C[C@@H](OC)[C@H]2O)OC
ACDLabs 12.01O=C1OC(C(=C/C(CC)CO)\C)CC(OC)CC(O)C(C)(C)C2(O)OC(CC(OC)C1O)CC(OC)C2O
FormulaC27 H48 O11
NamePeloruside A;
(1R,3R,4S,7S,9S,11S,13R,14R,15R)-4,11,13,14-tetrahydroxy-7-[(2Z,4R)-4-(hydroxymethyl)hex-2-en-2-yl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-one
ChEMBLCHEMBL4218957
DrugBank
ZINCZINC000098209315
PDB chain5syc Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5syc Insights into the Distinct Mechanisms of Action of Taxane and Non-Taxane Microtubule Stabilizers from Cryo-EM Structures.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		F296 D297 K299 R308 Y312
Binding residue
(residue number reindexed from 1)		F294 D295 K297 R306 Y310
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005200 structural constituent of cytoskeleton
GO:0005515 protein 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
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005874 microtubule

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5syc, PDBe:5syc, PDBj:5syc
PDBsum5syc
PubMed28104363
UniProtP02554|TBB_PIG Tubulin beta chain

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