Structure of PDB 8pjj Chain A Binding Site BS02

Receptor Information
>8pjj Chain A (length=946) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIENAKERLNIYKQTNNIRDDYKYTPVGPEHARSFLAELSIYVPALNRTV
TARESGSNKKSASKSCALSLVRQLFHLNVIEPFSGTLKKKKDEQLKPYPV
KLSPNLINKIDEVIKGLDLPVVNPESSVIPWAPPQANWNTWHACNIDEGE
LATTSIDDLSMDYERSLRDRRQNDNEYRQFLEFREKLPIAAMRSEILTAI
NDNPVVIIRGNTGCGKTTQIAQYILDDYICSGQGGYANIYVTQPRRISAI
SVAERVARERCEQLGDTVGYSVRFESVFPRPYGAILFCTVGVLLRKLEAG
LRGVSHIIVDEIHERDVNSDFLLVILRDMVDTYPDLHVILMSATIDTTKF
SKYFGICPVLEVPGRAFPVQQFFLEDIIQMTDFVPSAESEDKDEAEINYN
KVCEDKYSQKTRNAMAMLSESDVSFELLEALLMHIKSKNIPGAILVFLPG
WNLIFALMKFLQNTNIFGDTSQYQILPCHSQIPRDEQRKVFEPVPEGVTK
IILSTNIAETSITIDDIVFVIDICKARMKLFTSHNNLTSYATVWASKTNL
EQRKGRAGRVRPGFCFTLCSRARFQALEDNLTPEMFRTPLHEMALTIKLL
RLGSIHHFLSKALEPPPVDAVIEAEVLLREMRCLDANDELTPLGRLLARL
PIEPRLGKMMVLGAVFGCADLMAIMASYSSTFSEVFSLDIGQRRLANHQK
ALSGTKCSDHVAMIVASQMWRREKQRGEHMEARFCDWKGLQMSTMNVIWD
AKQQLLDLLQQAGFPEECMISHEVDERIDGDDPVLDVSLALLCLGLYPNI
CVHKEKRKVLTTESKAALLHKTSVNCSNLAVTFPYPFFVFGEKIRTRAVS
CKQLSMVSPLQVILFGSRKIDLAANNIVRVDNWLNFDIEPELAAKIGALK
PALEDLITVACDNPSDILRLEEPYAQLVKVVKDLCVKSAGDFGLQR
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 chain8pjj Chain A Residue 1201 [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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PDB8pjj Cryo-EM structure of MLE in complex with SL7UUC RNA and ADP
Resolution4.24 Å
Binding residue
(original residue number in PDB)		G410 G412 T414 R455 D507 E508 M538
Binding residue
(residue number reindexed from 1)		G213 G215 T217 R258 D310 E311 M341
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:8pjj, PDBe:8pjj, PDBj:8pjj
PDBsum8pjj
PubMed37989319
UniProtP24785|MLE_DROME Dosage compensation regulator mle (Gene Name=mle)

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