Structure of PDB 8a5o Chain V Binding Site BS01

Receptor Information
>8a5o Chain V (length=361) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVAALVIDNGSGMCKAGFAGDDAPRAVFPSIVGRPRDSYVGDEAQSKRGI
LTLRYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPMNPKS
NREKMTQIMFETFNVPAFYVSIQAVLSLYSSGRTTGIVLDSGDGVTHVVP
IYAGFSLPHAILRIDLAGRDLTDYLMKILSERGYSFSTTAEREIVRDIKE
KLCYVALDFEQEMQTAAQSSSIEKSYELPDGQVITIGNERFRAPEALFHP
SVLGLESAGIDQTTYNSIMKCDVDVRKELYGNIVMSGGTTMFPGIAERMQ
KEITALAPSSMKVKIIAPPERKYSVWIGGSILASLTTFQQMWISKQEYDE
SGPSIVHHKCF
Ligand information
Ligand IDAGS
InChIInChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H16 N5 O12 P3 S
NamePHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBLCHEMBL131890
DrugBankDB02930
ZINCZINC000008295128
PDB chain8a5o Chain V Residue 500 [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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PDB8a5o Structural mechanism of extranucleosomal DNA readout by the INO80 complex.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		G13 S14 G15 G156 D157 G182 R210 K213 E214 G302 M305 K336
Binding residue
(residue number reindexed from 1)		G10 S11 G12 G142 D143 G168 R196 K199 E200 G288 M291 K322
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0005200 structural constituent of cytoskeleton
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
Biological Process
GO:0000011 vacuole inheritance
GO:0006281 DNA repair
GO:0006338 chromatin remodeling
GO:0006351 DNA-templated transcription
GO:0006355 regulation of DNA-templated transcription
GO:0006897 endocytosis
GO:0009306 protein secretion
GO:0030010 establishment of cell polarity
GO:0030476 ascospore wall assembly
GO:1902404 mitotic actomyosin contractile ring contraction
Cellular Component
GO:0000142 cellular bud neck contractile ring
GO:0000785 chromatin
GO:0000812 Swr1 complex
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005884 actin filament
GO:0030479 actin cortical patch
GO:0031011 Ino80 complex
GO:0032432 actin filament bundle
GO:0035267 NuA4 histone acetyltransferase complex
GO:0043232 intracellular non-membrane-bounded organelle

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8a5o, PDBe:8a5o, PDBj:8a5o
PDBsum8a5o
PubMed36490333
UniProtP60010|ACT_YEAST Actin (Gene Name=ACT1)

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