Structure of PDB 8etw Chain X Binding Site BS02

Receptor Information
>8etw Chain X (length=442) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRTAAHTHIKGLGLDESGVAKRVEGGFVGQIEAREACGVIVDLIKAKKMS
GRAILLAGGPSTGKTALALAISQELGPKVPFCPLVGSELYSVEVKKTETL
MENFRRAIGLRIKETKEVYEGEVTELTPEDAENPLGGYGKTISHVIVGLK
SAKGTKTLRLDPTIYESIQREKVSIGDVIYIEANTGAVKRVGRSDAYATE
FDLETEEYVPLPKGEVHKKKEIVQDVTLHDLDVANARPQGGQDVISMMGQ
LLKPKKTEITEKLRQEVNKVVAKYIDQGVAELIPGVLFIDEVNMLDIEIF
TYLNKALESNIAPVVVLASNRGMTTVRGTEDVISPHGVPPDLIDRLLIVR
TLPYDKDEIRTIIERRATVERLQVESSALDLLATMGTETSLRYALQLLAP
CGILAQTSNRKEIVVNDVNEAKLLFLDAKRSTKILETSANYL
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain8etw Chain X 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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PDB8etw Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Resolution2.64 Å
Binding residue
(original residue number in PDB)		A26 H29 G47 F48 V49 S82 T83 G84 K85 Y375 I383 R413
Binding residue
(residue number reindexed from 1)		A5 H8 G26 F27 V28 S61 T62 G63 K64 Y354 I362 R392
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003678 DNA helicase activity
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008094 ATP-dependent activity, acting on DNA
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0043138 3'-5' DNA helicase activity
GO:0043139 5'-3' DNA helicase activity
Biological Process
GO:0000492 box C/D snoRNP assembly
GO:0006281 DNA repair
GO:0006325 chromatin organization
GO:0006338 chromatin remodeling
GO:0006355 regulation of DNA-templated transcription
GO:0006357 regulation of transcription by RNA polymerase II
GO:0032508 DNA duplex unwinding
GO:0050821 protein stabilization
Cellular Component
GO:0000785 chromatin
GO:0000812 Swr1 complex
GO:0005634 nucleus
GO:0031011 Ino80 complex
GO:0035267 NuA4 histone acetyltransferase complex
GO:0097255 R2TP complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8etw, PDBe:8etw, PDBj:8etw
PDBsum8etw
PubMed37384669
UniProtQ03940|RUVB1_YEAST RuvB-like protein 1 (Gene Name=RVB1)

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