Structure of PDB 5xjc Chain Q Binding Site BS02

Receptor Information
>5xjc Chain Q (length=1322) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAEFVTQLACKYWAPHIKKKSPFDIKVIEDIYEKEIVKSRFAIRKIMLLE
FSQYLENYLWMNYSPEVSSKAYLMSICCMVNEKFRENVPAWEIFKKKPDH
FPFFFKHILKAALAETDGEFSLHEQTVLLLFLDHCFNSLEVDLIRSQVQQ
LISLPMWMGLQLARLELELKKTPKLRKFWNLIKKNDEKMDPEAREQAYQE
RRFLSQLIQKFISVLKSVPLSEPVTMDKVHYCERFIELMIDLEALLPTRR
WFNTILDDSHLLVHCYLSNLVRREEDGHLFSQLLDMLKFYTGFEINDQTG
NALTENEMTTIHYDRITSLQRAAFAHFPELYDFALSNVAEVDTRESLVKF
FGPLSSNTLHQVASYLCLLPTLPKNEDTTFDKEFLLELLVSRHERRISQI
QQLNQMPLYPTEKIIWDENIVPTEYYSGEGCLALPKLNLQFLTLHDYLLR
NFNLFRLESTYEIRQDIEDSVSRMKPWQSGGVVFGGWARMAQPIVAFTVV
EVAKPNIGENWPTRVRADVTINLNVRDHIKDEWEGLRKHDVCFLITVRPT
KPYGTKFDRRRPFIEQVGLVYVRGCEIQGMLDDKGRVIPRPNLRGESRTF
RVFLDPNQYQQDMTNTIQNGAEDVYETFNIIMRRKPKENNFKAVLETIRN
LMNTDCVVPDWLHDIILGYGDPSSAHYSKMPNQIATLDFNDTFLSIEHLK
ASFPGHNVKVTVEDPALQPFRITFPVEAKTLIVEPHVIPNRGPYPYNQPK
RNTIQFTHTQIEAIRAGMQPGLTMVVGPPGTGKTDVAVQIISNIYHNFPE
QRTLIVTHSNQALNQLFEKIMALDIDERHLLRLGHEELETEKDFSRYGRV
NYVLARRIELLEEVKRLQKSLGVPGDASYTCETAGYFFLYQVMSRWEEYI
SKVKNPDVTEVSTFFPFHEYFANAIFKGRSYEEDMEIAEGCFRHIKKIFT
QLEEFRASELLRSGLDRSKYLLVKEAKIIAMTCTHAALKRHDLVKLGFKY
DNILMEEAAQILEIETFIPLLLQNPQDGFSRLKRWIMIGDHHQLPPVIKN
MAFQKYSNMEQSLFTRFVRVGVPTVDLDAQGRARASLCNLYNWRYKNLGN
LPHVQLLPEFSTANAGLLYDFQLINVEDFQGVGESEPNPYFYQNLGEAEY
VVALFMYMCLLGYPADKISILTTYNGQKHLIRDIINRRCGNNPLIGRPNK
VTTVDRFQGQQNDYILLSLVRTRAVGHLRDVRRLVVAMSRARLGLYIFAR
VSLFQNCFELTPAFSQLTARPLHLHIIPTETTRKNGERPSHEVQIIKNMP
QMANFVYNMYMHLIQTTHHYHQ
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain5xjc Chain Q Residue 1501 [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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PDB5xjc An Atomic Structure of the Human Spliceosome
Resolution3.6 Å
Binding residue
(original residue number in PDB)		I800 Q801 Q806 P825 G826 G828 K829 T830 D831 L1157
Binding residue
(residue number reindexed from 1)		I754 Q755 Q760 P779 G780 G782 K783 T784 D785 L1101
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003724 RNA helicase activity
GO:0003727 single-stranded RNA binding
GO:0003729 mRNA binding
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0034458 3'-5' RNA helicase activity
Biological Process
GO:0000398 mRNA splicing, via spliceosome
GO:0006397 mRNA processing
GO:0008380 RNA splicing
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005681 spliceosomal complex
GO:0016020 membrane
GO:0071007 U2-type catalytic step 2 spliceosome
GO:0071013 catalytic step 2 spliceosome

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5xjc, PDBe:5xjc, PDBj:5xjc
PDBsum5xjc
PubMed28502770
UniProtO60306|AQR_HUMAN RNA helicase aquarius (Gene Name=AQR)

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