Structure of PDB 8sf7 Chain KA Binding Site BS01

Receptor Information
>8sf7 Chain KA (length=434) Species: 5911 (Tetrahymena thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREVISIHVGQGGIQVGNACWELFCLEHGIQPDGQMPSDGDDAFNTFFSE
TGAGKHVPRAVFLDLEPTVIDEVRTGTYRQLFHPEQLISGKEDAANNFAR
GHYTIGKEIVDLCLDRIRKLADNCTGLQGFLVFNSVGGGTGSGLGSLLLE
RLSVDYGKKSKLGFTIYPSPQVSTAVVEPYNSILSTHSLLEHTDVAVMLD
NEAIYDICRRNLDIERPTYTNLNRLIAQVISSLTASLRFDGALNVDITEF
QTNLVPYPRIHFMLSSYAPIISAEKAYHEQLSVAEITNSAFEPANMMAKC
DPRHGKYMACSMMYRGDVVPKDVNASIATIKTKRTIQFVDWCPTGFKVGI
NYQPPTVVPGGDLAKVMRAVCMISNSTAIAEVFSRLDHKFDLMYAKRAFV
HWYVGEGMEEGEFSEAREDLAALEKDYEEVGIET
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 chain8sf7 Chain KA 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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PDB8sf7 Effect of alpha-tubulin acetylation on the doublet microtubule structure
Resolution4.1 Å
Binding residue
(original residue number in PDB)		G10 Q11 G12 Q15 S140 G143 G144 T145 T179 N206
Binding residue
(residue number reindexed from 1)		G10 Q11 G12 Q15 S135 G138 G139 T140 T174 N201
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
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:8sf7, PDBe:8sf7, PDBj:8sf7
PDBsum8sf7
PubMed38598282
UniProtP41351|TBA_TETTH Tubulin alpha chain

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