Structure of PDB 8a5p Chain W Binding Site BS01

Receptor Information
>8a5p Chain W (length=432) Species: 209285 (Thermochaetoides thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADIYGGDEVSALVLDPGYCNTRAGFAGEEMPKQVIPSFYGHVDGRDLFGD
EVIVPRAGFEVRNYMNRDSMVEDWDAATRVWEYLLVQRLQPPRPTPASKN
GLNVKPLTENPLLMTEAPWNTPKAREKAIEVVMENWGTPAFWLSRTPVLA
AFAAGKATALVIDVGGANTSVTAIHDGMVLKRSIQRSPAAGVWLSGQIRS
MWKSQDPPVNVVPTFMVENKKPVEAGAPPDCRLRNFGFPIHDSFRAFEEE
RVLTEFKESVVEVWRGPGKYLNPGNEDFAKTQPGRVFEFPDGSNQMWREQ
RYRVAEGMWDETAAYPSLNPDEAAITKAQTIPALIKAALDGVDVDLRPNL
LGNVVVTGSTSLLNGFNDRLNHELTNMYPGLKIKLHAAGLTSERRFGAWI
GGSILASLGTFHQMWISRKEYEENGAGIVEKR
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[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
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain8a5p Chain W 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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PDB8a5p Structural mechanism of extranucleosomal DNA readout by the INO80 complex.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		G29 Y30 C31 N32 R34 S81 G200 A201 T288 K291 E292 S393
Binding residue
(residue number reindexed from 1)		G17 Y18 C19 N20 R22 S69 G166 A167 T254 K257 E258 S359
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003682 chromatin binding
Biological Process
GO:0006281 DNA repair
GO:0006357 regulation of transcription by RNA polymerase II
Cellular Component
GO:0016514 SWI/SNF complex
GO:0035267 NuA4 histone acetyltransferase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8a5p, PDBe:8a5p, PDBj:8a5p
PDBsum8a5p
PubMed36490333
UniProtG0SBW4

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