Structure of PDB 3rrm Chain A Binding Site BS01

Receptor Information
>3rrm Chain A (length=375) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLAPELLKGIYAMKFQKPSKIQERALPLLLHNPPRNMIAQSQSGTGKTAA
FSLTMLTRVNPEDASPQAICLAPSRELARQTLEVVQEMGKFTKITSQLIV
PDSFEKNKQINAQVIVGTPGTVLDLMRRKLMQLQKIKIFVLDEADNMLDQ
QGLGDQCIRVKRFLPKDTQLVLFSATFADAVRQYAKKIVPNANTLELVNV
DAIKQLYMDCKNEADKFDVLTELYGVMTIGSSIIFVATKKTANVLYGKLK
SEGHEVSILHGDLQTQERDRLIDDFREGRSKVLITTNDIPTVSMVVNYDL
PTLANGQADPATYIHRIGRTGRFGRKGVAISFVHDKNSFNILSAIQKYFG
DIEMTRVPTDDWDEVEKIVKKVLKD
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 chain3rrm Chain A Residue 1 [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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PDB3rrm A conserved mechanism of DEAD-box ATPase activation by nucleoporins and InsP6 in mRNA export.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		F112 Q119 S140 G141 T142 G143 K144 T145 A146 F430
Binding residue
(residue number reindexed from 1)		F15 Q22 S43 G44 T45 G46 K47 T48 A49 F323
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:3rrm, PDBe:3rrm, PDBj:3rrm
PDBsum3rrm
PubMed21441902
UniProtP20449|DBP5_YEAST ATP-dependent RNA helicase DBP5 (Gene Name=DBP5)

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