Structure of PDB 4ffb Chain B Binding Site BS01

Receptor Information
>4ffb Chain B (length=421) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREIIHISTGQCGNQIGAAFWETICGEHGLDFNGTHDDIQKERLNVYFNE
ASSGKWVPRSINVDLEPGTIDAVRNSAIGNLFRPDNYIFGQSSAGNVWAK
GHYTEGAELVDSVMDVIRREAEGCDSLQGFQITHSLGGGTGSGMGTLLIS
KIREEFPDRMMATFSVLPSPKTRVEPYNATLSVHQLVEHSDETFCIDNEA
LYDICQRTLKLNQPSYGDLNNLVSSVMSGVTTSLRYPGQLNSDLRKLAVN
LVPFPRLHFFMVGYAPLTAIGSLTVPELTQQMFDAKNMMAAADPRNGRYL
TVAAFFRGKVSVKEVEDEMHKVQSKNSDYFVEWIPNNVQTAVCSVAPQGL
DMAATFIANSTSIQELFKRVGDQFSAMFKRKAFLHWYTSEGMDELEFSEA
ESNMNDLVSEYQQYQEATVED
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain4ffb Chain B Residue 502 [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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PDB4ffb A TOG: alpha beta-tubulin complex structure reveals conformation-based mechanisms for a microtubule polymerase.
Resolution2.882 Å
Binding residue
(original residue number in PDB)		G10 Q11 C12 Q15 N99 S138 G141 G142 T143 G144 N204 Y222 N226
Binding residue
(residue number reindexed from 1)		G10 Q11 C12 Q15 N96 S135 G138 G139 T140 G141 N198 Y216 N220
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.6: tubulin GTPase.
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:0000022 mitotic spindle elongation
GO:0000226 microtubule cytoskeleton organization
GO:0000278 mitotic cell cycle
GO:0007010 cytoskeleton organization
GO:0007017 microtubule-based process
GO:0031122 cytoplasmic microtubule organization
GO:0046677 response to antibiotic
GO:0090307 mitotic spindle assembly
GO:0090316 positive regulation of intracellular protein transport
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005874 microtubule
GO:0045298 tubulin complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ffb, PDBe:4ffb, PDBj:4ffb
PDBsum4ffb
PubMed22904013
UniProtP02557|TBB_YEAST Tubulin beta chain (Gene Name=TUB2)

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