Structure of PDB 5ubq Chain E Binding Site BS01

Receptor Information
>5ubq Chain E (length=441) Species: 5911 (Tetrahymena thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREVISIHVGQGGIQVGNACWELFCLEHGIQPDGQMPSDKTIGGGDDAFN
TFFSETGAGKHVPRAVFLDLEPTVIDEVRTGTYRQLFHPEQLISGKEDAA
NNFARGHYTIGKEIVDLCLDRIRKLADNCTGLQGFLVFNSVGGGTGSGLG
SLLLERLSVDYGKKSKLGFTIYPSPQVSTAVVEPYNSILSTHSLLEHTDV
AVMLDNEAIYDICRRNLDIERPTYTNLNRLIAQVISSLTASLRFDGALNV
DITEFQTNLVPYPRIHFMLSSYAPIISAEKAYHEQLSVAEITNSAFEPAN
MMAKCDPRHGKYMACSMMYRGDVVPKDVNASIATIKTKRTIQFVDWCPTG
FKVGINYQPPTVVPGGDLAKVMRAVCMISNSTAIAEVFSRLDHKFDLMYA
KRAFVHWYVGEGMEEGEFSEAREDLAALEKDYEEVGIETAE
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 chain5ubq Chain E Residue 501 [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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PDB5ubq Subnanometre-resolution structure of the doublet microtubule reveals new classes of microtubule-associated proteins.
Resolution5.7 Å
Binding residue
(original residue number in PDB)		G10 Q11 G12 Q15 D69 E71 D98 A99 N101 S140 G142 G143 G144 T145 G146 T179 Y224 N228
Binding residue
(residue number reindexed from 1)		G10 Q11 G12 Q15 D69 E71 D98 A99 N101 S140 G142 G143 G144 T145 G146 T179 Y224 N228
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0005200 structural constituent of cytoskeleton
GO:0005525 GTP binding
GO:0016787 hydrolase activity
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
View graph for
Cellular Component
External links
PDB RCSB:5ubq, PDBe:5ubq, PDBj:5ubq
PDBsum5ubq
PubMed28462916
UniProtP41351|TBA_TETTH Tubulin alpha chain

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