Structure of PDB 8g2z Chain JA Binding Site BS01

Receptor Information
>8g2z Chain JA (length=432) Species: 452467 (Tetrahymena thermophila CU428) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREVISIHVGQGGIQVGNACWELFCLEHGIQPDGQMPSDDAFNTFFSETG
AGKHVPRAVFLDLEPTVIDEVRTGTYRQLFHPEQLISGKEDAANNFARGH
YTIGKEIVDLCLDRIRKLADNCTGLQGFLVFNSVGGGTGSGLGSLLLERL
SVDYGKKSKLGFTIYPSPQVSTAVVEPYNSILSTHSLLEHTDVAVMLDNE
AIYDICRRNLDIERPTYTNLNRLIAQVISSLTASLRFDGALNVDITEFQT
NLVPYPRIHFMLSSYAPIISAEKAYHEQLSVAEITNSAFEPANMMAKCDP
RHGKYMACSMMYRGDVVPKDVNASIATIKTKRTIQFVDWCPTGFKVGINY
QPPTVVPGGDLAKVMRAVCMISNSTAIAEVFSRLDHKFDLMYAKRAFVHW
YVGEGMEEGEFSEAREDLAALEKDYEEVGIET
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 chain8g2z Chain JA 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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PDB8g2z Native doublet microtubules from Tetrahymena thermophila reveal the importance of outer junction proteins.
Resolution4.1 Å
Binding residue
(original residue number in PDB)		Q11 G12 D98 N101 S140 G144 T145 T179 N206 Y224
Binding residue
(residue number reindexed from 1)		Q11 G12 D91 N94 S133 G137 T138 T172 N199 Y217
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8g2z, PDBe:8g2z, PDBj:8g2z
PDBsum8g2z
PubMed37061538
UniProtP41351|TBA_TETTH Tubulin alpha chain

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