Structure of PDB 8ftm Chain A Binding Site BS02

Receptor Information
>8ftm Chain A (length=714) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLIPPMDVLHQAILEWDIFHEGGYRCGNVSDTYPDPYSYKQTFFPLLINE
AWRSFVTAKDETTSKPFGIKVLSRMTVDKFMEVTAAVPAQISKDRGLTEG
DIVIISKGEDPLNQPQELHCLSRIWKTTYKKDTVEVVYRLNAKGNQILPA
LTPGSEFQVVKITNMTTIEREYAALESLQYYDLMDEILKAQPSPMLTFGD
EAIKAVMDNYQLNPGQARAILNAKENDGFTLIQGPPGTGKTKTIVAMVGC
LLTGVLKLLVCAPSNAAVDELVLRLKAGVKTMNGTFHKIEVLRLGRSDVI
NAAVKDVTLDELVKARMDAELRDQLHKEAGEIKAKLAEIRPQLDAARLSD
DRASAMKLQREFDELKRRQAHIGAKIDAGNTYARETEIKRRQIQQEILDK
AQVLCATLSGSGHEMFKNLNVEFETVIIDEAAQCVELSALIPLKYGCNKC
ILVGDPKQLPPTVLSQSAAKYGYDQSLFVRMQKNHPKDVHLLDMQYRMHP
EISRFPSKEFYEGLLQDGADMARLRLQPWHQSVLLGPYRFFDVKGSQERG
PKNQSLVNEEEVKVAMQLYMRFRSDYRDIDLTGKIGIITPYKAQLQRLRQ
KFVERYGESITEQIEFNTTDAFQGRECEIIIFSCVRASPTGGIGFMTDIR
RMNVGLTRARSSLWILGDSRALVQGEFWAKLIEDAKQRDRYTNGNIMALL
SQPGPRVSLESLAK
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 chain8ftm Chain A Residue 2001 [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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PDB8ftm Sen1 architecture: RNA-DNA hybrid resolution, autoregulation, and insights into SETX inactivation in AOA2.
Resolution3.01 Å
Binding residue
(original residue number in PDB)		G1343 G1345 K1346 T1347 K1348 Y1639
Binding residue
(residue number reindexed from 1)		G237 G239 K240 T241 K242 Y496
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0004386 helicase activity

View graph for
Molecular Function
External links
PDB RCSB:8ftm, PDBe:8ftm, PDBj:8ftm
PDBsum8ftm
PubMed37832548
UniProtG0S163

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