Structure of PDB 5zbz Chain A Binding Site BS01

Receptor Information
>5zbz Chain A (length=218) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVIESNWNEIVDSFDDMNLSESLLRGIYAYGFEKPSAIQQRAILPCIKGY
DVIAQAQSGTGKTATFAISILQQIELDLKATQALVLAPTRELAQQIQKVV
MALGDYMGASCHACIGGTNVRAEVQKLQMEAPHIIVGTPGRVFDMLNRRY
LSPKYIKMFVLDEADEMLSRGFKDQIYDIFQKLNSNTQVVLLSATMPSDV
LEVTKKFMRDPIRILVKK
Ligand information
Ligand IDSAU
InChIInChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
InChIKeyINVGWHRKADIJHF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6
ACDLabs 12.01O1c3c(OC1)c2c[n+](c5c(c2cc3)ccc6cc4OCOc4cc56)C
CACTVS 3.370C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14
FormulaC20 H14 N O4
Name13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium;
Sanguinarine
ChEMBLCHEMBL417799
DrugBank
ZINCZINC000000000706
PDB chain5zbz Chain A Residue 301 [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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PDB5zbz Targeting the N Terminus of eIF4AI for Inhibition of Its Catalytic Recycling.
Resolution1.3086 Å
Binding residue
(original residue number in PDB)		G79 G81 Q115
Binding residue
(residue number reindexed from 1)		G59 G61 Q95
Annotation score1
Binding affinityMOAD: Kd=12.5uM
PDBbind-CN: -logKd/Ki=4.95,Kd=11.1uM
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:5zbz, PDBe:5zbz, PDBj:5zbz
PDBsum5zbz
PubMed31402318
UniProtP60842|IF4A1_HUMAN Eukaryotic initiation factor 4A-I (Gene Name=EIF4A1)

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