Structure of PDB 4tyn Chain A Binding Site BS04

Receptor Information
>4tyn Chain A (length=509) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKLIHVPKEDNSKEVTLDSLLEEGVLDKEIHKAITRMEFPGLTPVQQKTI
KPILSSEDHDVIARAKTGTGKTFAFLIPIFQHLINTKFDSQYMVKAVIVA
PTRDLALQIEAEVKKIHDMNYGLKKYACVSLVGGTDFRAAMNKMNKLRPN
IVIATPGRLIDVLEKYSNKFFRFVDYKVLDEADRLLEIGFRDDLETISGI
LNEKNSKSADNIKTLLFSATLDDKVQKLANNIMNKKECLFLDTVDKNEPE
AHERIDQSVVISEKFANSIFAAVEHIKKQIKERDSNYKAIIFAPTVKFTS
FLCSILKNEFKKDLPILEFHGKITQNKRTSLVKRFKKDESGILVCTDVGA
RGMDFPNVHEVLQIGVPSELANYIHRIGRTARSGKEGSSVLFICKDELPF
VRELEDAKNIVIAKQEKYEPSEEIKSEVLEAVTEEPEDISDIVISLISSY
RSCIKEYRFSERRILPEIASTYGVLLNDPQLKIPVSRRFLDKLGLSRSPI
GKAMFEIRD
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 chain4tyn Chain A Residue 603 [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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PDB4tyn Molecular insights into RNA and DNA helicase evolution from the determinants of specificity for a DEAD-box RNA helicase.
Resolution2.959 Å
Binding residue
(original residue number in PDB)		F126 T130 Q133 G155 T156 G157 K158 T159 D441 R469 S470
Binding residue
(residue number reindexed from 1)		F39 T43 Q46 G68 T69 G70 K71 T72 D354 R382 S383
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0005524 ATP binding

View graph for
Molecular Function
External links
PDB RCSB:4tyn, PDBe:4tyn, PDBj:4tyn
PDBsum4tyn
PubMed25497230
UniProtP15424|MS116_YEAST ATP-dependent RNA helicase MSS116, mitochondrial (Gene Name=MSS116)

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