Structure of PDB 3pew Chain A Binding Site BS02

Receptor Information
>3pew Chain A (length=391) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKSFDELGLAPELLKGIYAMKFQKPSKIQERALPLLLHNPPRNMIAQSQS
GTGKTAAFSLTMLTRVNPEDASPQAICLAPSRELARQTLEVVQEMGKFTK
ITSQLIVPDSFEKNKQINAQVIVGTPGTVLDLMRRKLMQLQKIKIFVLDE
ADNMLDQQGLGDQCIRVKRFLPKDTQLVLFSATFADAVRQYAKKIVPNAN
TLELQTNEVNVDAIKQLYMDCKNEADKFDVLTELYGVMTIGSSIIFVATK
KTANVLYGKLKSEGHEVSILHGDLQTQERDRLIDDFREGRSKVLITTNVL
ARGIDIPTVSMVVNYDLPTLANGQADPATYIHRIGRTGRFGRKGVAISFV
HDKNSFNILSAIQKYFGDIEMTRVPTDDWDEVEKIVKKVLK
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 chain3pew 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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PDB3pew A conserved mechanism of DEAD-box ATPase activation by nucleoporins and InsP(6) in mRNA export.
Resolution1.501 Å
Binding residue
(original residue number in PDB)		F112 Q119 G141 G143 K144 T145 D395 R429 F430
Binding residue
(residue number reindexed from 1)		F22 Q29 G51 G53 K54 T55 D305 R339 F340
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:3pew, PDBe:3pew, PDBj:3pew
PDBsum3pew
PubMed21441902
UniProtP20449|DBP5_YEAST ATP-dependent RNA helicase DBP5 (Gene Name=DBP5)

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