Structure of PDB 6cz5 Chain A Binding Site BS01

Receptor Information
>6cz5 Chain A (length=427) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDDWSKPLPPSERLEQELFSGKYDDIPVEATGNNCPPHIESFSDVEMGEI
IMGNIELTRYTRPTPVQKHAIPIIKEKRDLMACAQTGCGKTAAFLLPILS
QIYSDGPGEALRAMKKQYPISLVLAPTRELAVQIYEEARKFSYRSRVRPC
VVYGGADIGQQIRDLERGCHLLVATPGRLVDMMERGKIGLDFCKYLVLDE
ADRMLDMGFEPQIRRIVEQDTMPPKGVRHTMMFSATFPKEIQMLARDFLD
EYIFLAVGRVGSTSENITQKVVWVEESDKRSFLLDLLNATGKDSLTLVFV
ETKKGADSLEDFLYHEGYACTSIHGDRSQRDREEALHQFRSGKSPILVAT
AVAARGLDISNVKHVINFDLPSDIEEYVHRIGRTGRVGNLGLATSFFNER
NINITKDLLDLLVEAKQEVPSWLENMA
Ligand information
Ligand IDFPJ
InChIInChI=1S/C13H19N6O7P/c1-2-7(20)18-27(23,24)25-3-6-9(21)10(22)13(26-6)19-5-17-8-11(14)15-4-16-12(8)19/h4-6,9-10,13,21-22H,2-3H2,1H3,(H2,14,15,16)(H2,18,20,23,24)/t6-,9-,10-,13-/m1/s1
InChIKeyYXHIVTXRAWARSD-ZRFIDHNTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCC(=O)NP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.385CCC(=O)N[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 2.0.6CCC(=O)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.385CCC(=O)N[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
ACDLabs 12.01c2n(c1c(c(ncn1)N)n2)C3C(C(O)C(COP(NC(=O)CC)(O)=O)O3)O
FormulaC13 H19 N6 O7 P
Name5'-O-[(R)-hydroxy(propanoylamino)phosphoryl]adenosine
ChEMBL
DrugBank
ZINC
PDB chain6cz5 Chain A Residue 601 [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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PDB6cz5 Chemical genetic inhibition of DEAD-box proteins using covalent complementarity.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		Y200 T204 Q207 C228
Binding residue
(residue number reindexed from 1)		Y60 T64 Q67 C88
Annotation score3
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:6cz5, PDBe:6cz5, PDBj:6cz5
PDBsum6cz5
PubMed30102385
UniProtO00571|DDX3X_HUMAN ATP-dependent RNA helicase DDX3X (Gene Name=DDX3X)

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