Structure of PDB 4u3j Chain B Binding Site BS01

Receptor Information
>4u3j Chain B (length=417) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREIIHISTGQCGNQIGAAFWETICGEHGLDFNGTYHGHDDIQKERLNVY
FNEASSGKWVPRSINVDLEPGTIDAVRNSAIGNLFRPDNYIFGQSSAGNV
WAKGHYTEGAELVDSVMDVIRREAEGCDSLQGFQITHSLGGGTGSGMGTL
LISKIREEFPDRMMATFSVLPSPKTRVEPYNATLSVHQLVEHSDETFCID
NEALYDICQLKQPSYGDLNNLVSSVMSGVTTSLRYPGQLNSDLRKLAVNL
VPFPRLHFFMVGYAPLTARSLTVPELTQQMFDAKNMMAAADPRNGRYLTV
AAFFRGKVSVKEVEDEMHKVQSKNSDYFVEWIPNNVQTAVCSVAPQGLDM
AATFIANSTSIQELFKRVGDQFSAMFKRKAFLHWYTSEGMDELEFSEAES
NMNDLVSEYQQYQEATV
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 chain4u3j 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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PDB4u3j A tethered delivery mechanism explains the catalytic action of a microtubule polymerase.
Resolution2.81 Å
Binding residue
(original residue number in PDB)		G10 Q11 C12 A97 N99 S138 G141 G142 T143 E181 N204 Y222 N226
Binding residue
(residue number reindexed from 1)		G10 Q11 C12 A97 N99 S138 G141 G142 T143 E178 N201 Y215 N219
Annotation score4
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: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

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4u3j, PDBe:4u3j, PDBj:4u3j
PDBsum4u3j
PubMed25097237
UniProtP02557|TBB_YEAST Tubulin beta chain (Gene Name=TUB2)

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