Structure of PDB 5sup Chain A Binding Site BS03

Receptor Information
>5sup Chain A (length=383) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGFKDFLLKPELSRAIIDCGFEHPSEVQQHTIPQSIHGTDVLCQAKSGLG
KTAVFVLSTLQQLDPVPGEVAVVVICNARELAYQIRNEYLRFSKYMPDVK
TAVFYGGTPISKDAELLKNKDTAPHIVVATPGRLKALVREKYIDLSHVKN
FVIDECDKVLEELDMRRDVQEIFRATPRDKQVMMFSATLSQEIRPICRRF
LQNPLEIFVDDEAKLTLHGLQQYYIKLEEREKNRKLAQLLDDLEFNQVII
FVKSTTRANELTKLLNASNFPAITVHGHMKQEERIARYKAFKDFEKRICV
STDVFGRGIDIERINLAINYDLTNEADQYLHRVGRAGRFGTKGLAISFVS
SKEDEEVLAKIQERFDVKIAEFPEEGIDPSTYL
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 chain5sup Chain A Residue 1000 [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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PDB5sup Structural and biochemical analyses of the DEAD-box ATPase Sub2 in association with THO or Yra1.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		F82 Q89 G109 G111 K112 T113 D371 F400
Binding residue
(residue number reindexed from 1)		F21 Q28 G48 G50 K51 T52 D310 F339
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003724 RNA helicase activity
GO:0005524 ATP binding

View graph for
Molecular Function
External links
PDB RCSB:5sup, PDBe:5sup, PDBj:5sup
PDBsum5sup
PubMed28059701
UniProtQ07478|SUB2_YEAST ATP-dependent RNA helicase SUB2 (Gene Name=SUB2)

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