Structure of PDB 8sf7 Chain KI Binding Site BS01
Receptor Information
>8sf7 Chain KI (length=439) Species:
5911
(Tetrahymena thermophila) [
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MREVISIHVGQGGIQVGNACWELFCLEHGIQPDGQMPSDKTIGGGDDAFN
TFFSETGAGKHVPRAVFLDLEPTVIDEVRTGTYRQLFHPEQLISGKEDAA
NNFARGHYTIGKEIVDLCLDRIRKLADNCTGLQGFLVFNSVGGGTGSGLG
SLLLERLSVDYGKKSKLGFTIYPSPQVSTAVVEPYNSILSTHSLLEHTDV
AVMLDNEAIYDICRRNLDIERPTYTNLNRLIAQVISSLTASLRFDGALNV
DITEFQTNLVPYPRIHFMLSSYAPIISAEKAYHEQLSVAEITNSAFEPAN
MMAKCDPRHGKYMACSMMYRGDVVPKDVNASIATIKTKRTIQFVDWCPTG
FKVGINYQPPTVVPGGDLAKVMRAVCMISNSTAIAEVFSRLDHKFDLMYA
KRAFVHWYVGEGMEEGEFSEAREDLAALEKDYEEVGIET
Ligand information
Ligand ID
GTP
InChI
InChI=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
InChIKey
XKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
c1nc2c(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 3.370
NC1=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 3.370
NC1=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 1.7.6
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
Formula
C10 H16 N5 O14 P3
Name
GUANOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL1233147
DrugBank
DB04137
ZINC
ZINC000060094177
PDB chain
8sf7 Chain KJ Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
8sf7
Effect of alpha-tubulin acetylation on the doublet microtubule structure
Resolution
4.1 Å
Binding residue
(original residue number in PDB)
D98 A100 N101 S140 T145 Y224
Binding residue
(residue number reindexed from 1)
D98 A100 N101 S140 T145 Y224
Annotation score
4
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
PDBsum
8sf7
PubMed
38598282
UniProt
P41351
|TBA_TETTH Tubulin alpha chain
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