Structure of PDB 5aor Chain B Binding Site BS02

Receptor Information
>5aor Chain B (length=992) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVIDRIQEQRDMNEAEAFDVNAAIHGNWTIENAKERLNIYKQTNNIRDDY
KYTPVGPEHARSFLAELSIYVPALNRTVTARESGSNKKSASKSCALSLVR
QLFHLNVIEPFSGTLKKKKDEQLKPYPVKLSPNLINKIDEVIKGLDLPVV
NPRNIKIELGPPIPLIVSVIPWAPPQANWNTWHACSIDDLSMDYERSLRD
RRQNDNEYRQFLEFREKLPIAAMRSEILTAINDNPVVIIRGNTGCGKTTQ
IAQYILDDYICSGQGGYANIYVTQPRRISAISVAERVARERCEQLGDTVG
YSVRFESVFPRPYGAILFCTVGVLLRKLEAGLRGVSHIIVDEIHERDVNS
DFLLVILRDMVDTYPDLHVILMSATIDTTKFSKYFGICPVLEVPGRAFPV
QQFFLEDIIQMTDFVPSAESRRKRKEVEDEEQLLSEDKDEAEINYNKVCE
DKYSQKTRNAMAMLSESDVSFELLEALLMHIKSKNIPGAILVFLPGWNLI
FALMKFLQNTNIFGDTSQYQILPCHSQIPRDEQRKVFEPVPEGVTKIILS
TNIAETSITIDDIVFVIDICKARMKLFTSHNNLTSYATVWASKTNLEQRK
GRAGRVRPGFCFTLCSRARFQALEDNLTPEMFRTPLHEMALTIKLLRLGS
IHHFLSKALEPPPVDAVIEAEVLLREMRCLDANDELTPLGRLLARLPIEP
RLGKMMVLGAVFGCADLMAIMASYSSTFSEVFSLDIGQRRLANHQKALSG
TKCSDHVAMIVASQMWRREKQRGEHMEARFCDWKGLQMSTMNVIWDAKQQ
LLDLLQQAGFPEECMISHEVDERIDGDDPVLDVSLALLCLGLYPNICVHK
EKRKVLTTESKAALLHKTSVNCSNLAVTFPYPFFVFGEKIRTRAVSCKQL
SMVSPLQVILFGSRKIDLAANNIVRVDNWLNFDIEPELAAKIGALKPALE
DLITVACDNPSDILRLEEPYAQLVKVVKDLCVKSAGDFGLQR
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 chain5aor Chain B Residue 2159 [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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PDB5aor Structure of the RNA Helicase Mle Reveals the Molecular Mechanisms for Uridine Specificity and RNA-ATP Coupling.
Resolution2.08 Å
Binding residue
(original residue number in PDB)		G410 G412 K413 T414 T415 R452 T725 R771 V772
Binding residue
(residue number reindexed from 1)		G244 G246 K247 T248 T249 R286 T559 R605 V606
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0001069 regulatory region RNA binding
GO:0003676 nucleic acid binding
GO:0003678 DNA helicase activity
GO:0003682 chromatin binding
GO:0003690 double-stranded DNA binding
GO:0003723 RNA binding
GO:0003724 RNA helicase activity
GO:0003725 double-stranded RNA binding
GO:0004386 helicase activity
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0033679 3'-5' DNA/RNA helicase activity
GO:0034458 3'-5' RNA helicase activity
GO:0043138 3'-5' DNA helicase activity
GO:0106222 lncRNA binding
Biological Process
GO:0007549 sex-chromosome dosage compensation
GO:0008340 determination of adult lifespan
GO:0009047 dosage compensation by hyperactivation of X chromosome
GO:0010468 regulation of gene expression
GO:0031453 positive regulation of heterochromatin formation
GO:0032508 DNA duplex unwinding
GO:0042714 dosage compensation complex assembly
GO:0045433 male courtship behavior, veined wing generated song production
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0048675 axon extension
GO:0050684 regulation of mRNA processing
GO:2000373 positive regulation of DNA topoisomerase (ATP-hydrolyzing) activity
GO:2000765 regulation of cytoplasmic translation
Cellular Component
GO:0000228 nuclear chromosome
GO:0000785 chromatin
GO:0000805 X chromosome
GO:0005634 nucleus
GO:0005694 chromosome
GO:0005730 nucleolus
GO:0005829 cytosol
GO:0016456 X chromosome located dosage compensation complex, transcription activating
GO:0072487 MSL complex
GO:1990904 ribonucleoprotein complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5aor, PDBe:5aor, PDBj:5aor
PDBsum5aor
PubMed26545078
UniProtP24785|MLE_DROME Dosage compensation regulator mle (Gene Name=mle)

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