Structure of PDB 6qie Chain A Binding Site BS01

Receptor Information
>6qie Chain A (length=703) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTTAKQAEAVEDSDINPWTGQRHSERYFKILKARRKLPVNKQRQEFLDLY
HNNQILVFVGETGSGKTTQIPQYVLYDELPHQTGKLIACTQPRRVAAMSV
AQRVADELDVKLGEEVGYSIRFENKTSSKTLLKYMTDGQLLREAMHDRDM
SRYSCIILDEAHERTLATDILMALLKQLSERRKDLKIIVMSATLDAQKFQ
SYFFNAPLLAVPGRTHPVEIFYTPEAERDYVEAAIRTVLQIHACEPEGDI
LLFLTGEEEIEDACRRISLEVDEMIRESDAGPMSVYPLYGTLPPHQQQRI
FEKAPQPFRPGGRPGRKCIVATNIAETGLTIDGIVYVVDPGFSKQKIYNP
RTRVESLLVSPISKASAQQRAGRAGRTRPGKCFRLYTEEAFKKELIEQTY
PEILRSNLSNTVLELKKLGVEDLVHFDLMDPPAPETMMRALEELNYLACL
DDDGELTPLGNLASEFPLDPALAVMLISSPEFYCSNEILSITSLLSVPQI
WVRPANARKRADEMKAQFAHPDGDHLTLLNAYHAYKGAEARGEDMKKWCH
EHFLSYRHLSSADNVRAQLKKIMETHGIELVSTPFHDKNYYTNIRRALLA
GFFMQVAMRESSNSKVYKTVKDEQLVLIHPSTTVTTPYEWVVYNEFVLTT
KQYVRTVTNIRPEWLLEIAPVYYDLSTFQKGEIKNALTRVAEKIRRQQAM
KAS
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 chain6qie Chain A Residue 810 [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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PDB6qie Structural basis for RNA translocation by DEAH-box ATPases.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		T121 G122 G124 K125 T126 T127 R162 T389 R435 T436
Binding residue
(residue number reindexed from 1)		T62 G63 G65 K66 T67 T68 R103 T330 R376 T377
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003723 RNA binding
GO:0003724 RNA helicase activity
GO:0004386 helicase activity
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005681 spliceosomal complex
GO:1990904 ribonucleoprotein complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6qie, PDBe:6qie, PDBj:6qie
PDBsum6qie
PubMed30828714
UniProtG0RY84

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