Structure of PDB 7zx2 Chain B Binding Site BS02

Receptor Information
>7zx2 Chain B (length=423) 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
RKLAVNMVPFPRLHFFMPGFAPLTSYRALTVPELTQQMFDSKNMMAACDP
RHGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCD
IPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDE
MEFTEAESNMNDLVSEYQQYQDA
Ligand information
Ligand IDK9I
InChIInChI=1S/C26H40O7/c1-6-17(15-27)10-16(2)22-13-20(32-5)14-23(29)26(3,4)19-9-7-8-18(11-19)12-21(28)24(30)25(31)33-22/h7-11,17,20-24,27-30H,6,12-15H2,1-5H3/b16-10-/t17-,20-,21-,22+,23+,24+/m1/s1
InChIKeyQQBSDIIBIDGOMZ-GJULWDICSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(CO)C=C(C)C1CC(CC(C(c2cccc(c2)CC(C(C(=O)O1)O)O)(C)C)O)OC
OpenEye OEToolkits 2.0.7CC[C@@H](CO)/C=C(/C)\[C@@H]1C[C@H](C[C@@H](C(c2cccc(c2)C[C@H]([C@@H](C(=O)O1)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)c2cccc(C[C@@H](O)[C@H](O)C(=O)O1)c2)OC
CACTVS 3.385CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)c2cccc(C[CH](O)[CH](O)C(=O)O1)c2)OC
FormulaC26 H40 O7
Name(3R,4S,7S,9S,11S)-3,4,11-trihydroxy-7-((R,Z)-4-(hydroxymethyl)hex-2-en-2-yl)-9-methoxy-12,12-dimethyl-6-oxa-1(1,3)-benzenacyclododecaphan-5-one
ChEMBL
DrugBank
ZINC
PDB chain7zx2 Chain B Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7zx2 Chemical modulation of microtubule structure through the laulimalide/peloruside site.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Q293 F296 D297 R308 Y312 N339 Y342
Binding residue
(residue number reindexed from 1)		Q286 F289 D290 R301 Y305 N332 Y335
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:7zx2, PDBe:7zx2, PDBj:7zx2
PDBsum7zx2
PubMed36462501
UniProtQ6B856|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

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