Structure of PDB 5e7j Chain A Binding Site BS01

Receptor Information
>5e7j Chain A (length=433) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDDWSKPLPPSERLEQELFSGGIPVEATGNNCPPHIESFSDVEMGEIIMG
NIELTRYTRPTPVQKHAIPIIKEKRDLMACAQTGSGKTAAFLLPILSQIY
SDGPGEALRAMKKQYPISLVLAPTRELAVQIYEEARKFSYRSRVRPCVVY
GGADIGQQIRDLERGCHLLVATPGRLVDMMERGKIGLDFCKYLVLDEADR
MLDMGFEPQIRRIVEQDTMPPKGVRHTMMFSATFPKEIQMLARDFLDEYI
FLAVGRVGSTSENITQKVVWVEESDKRSFLLDLLNATGKDSLTLVFVETK
KGADSLEDFLYHEGYACTSIHGDRSQRDREEALHQFRSGKSPILVATAVA
ARGLDISNVKHVINFDLPSDIEEYVHRIGRTGRVGNLGLATSFFNERNIN
ITKDLLDLLVEAKQEVPSWLENMAYEHHYKGSS
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain5e7j Chain A Residue 801 [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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PDB5e7j Autoinhibitory Interdomain Interactions and Subfamily-specific Extensions Redefine the Catalytic Core of the Human DEAD-box Protein DDX3.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		Y200 T204 Q207 G227 S228 G229 K230 T231
Binding residue
(residue number reindexed from 1)		Y57 T61 Q64 G84 S85 G86 K87 T88
Annotation score4
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:5e7j, PDBe:5e7j, PDBj:5e7j
PDBsum5e7j
PubMed26598523
UniProtO00571|DDX3X_HUMAN ATP-dependent RNA helicase DDX3X (Gene Name=DDX3X)

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