Structure of PDB 6xki Chain A Binding Site BS03

Receptor Information
>6xki Chain A (length=378) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIVDSFDDMNLSESLLRGIYAYGFEKPSAIQQRAILPCIKGYDVIAQAQS
GTGKTATFAISILQQIELDLKATQALVLAPTRELAQQIQKVVMALGDYMG
ASCHACIGGTNVRAEVQKLQMEAPHIIVGTPGRVFDMLNRRYLSPKYIKM
FVLDEADEMLSRGFKDQIYDIFQKLNSNTQVVLLSATMPSDVLEVTKKFM
RDPIRILVKKEELTLEGIRQFYINVEREEWKLDTLCDLYETLTITQAVIF
INTRRKVDWLTEKMHARDFTVSAMHGDMDQKERDVIMREFRSGSSRVLIT
TDLLARGIDVQQVSLVINYDLPTNRENYIHRIGRGGRFGRKGVAINMVTE
EDKRTLRDIETFYNTSIEEMPLNVADLI
Ligand information
Ligand IDV6D
InChIInChI=1S/C30H43N3O4S/c1-21(14-15-33(5)6)10-11-23(3)17-27-19-28-32-26(20-38-28)13-12-25(31)18-30(35)36-24(4)16-22(2)8-7-9-29(34)37-27/h7-11,14,17,20,24-25,27H,12-13,15-16,18-19,31H2,1-6H3/b9-7-,11-10+,21-14+,22-8+,23-17+/t24-,25+,27+/m0/s1
InChIKeyOKCOLQKYUABEJR-GFYARHHKSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C1(=CC=CC(=O)OC(Cc2scc(CCC(N)CC(=O)OC(C1)C)n2)[C@H]=C(C)C=[C@H]C(C)=[C@H]CN(C)C)C
CACTVS 3.385C[CH]1CC(=CC=CC(=O)O[CH](Cc2scc(CC[CH](N)CC(=O)O1)n2)C=C(C)C=CC(C)=CCN(C)C)C
OpenEye OEToolkits 2.0.7CC1CC(=CC=CC(=O)OC(Cc2nc(cs2)CCC(CC(=O)O1)N)C=C(C)C=CC(=CCN(C)C)C)C
CACTVS 3.385C[C@H]1C\C(=C\C=C/C(=O)O[C@@H](Cc2scc(CC[C@@H](N)CC(=O)O1)n2)/C=C(C)/C=C/C(C)=C/CN(C)C)C
OpenEye OEToolkits 2.0.7C[C@H]1C/C(=C/C=C\C(=O)O[C@@H](Cc2nc(cs2)CC[C@H](CC(=O)O1)N)/C=C(\C)/C=C/C(=C/CN(C)C)/C)/C
FormulaC30 H43 N3 O4 S
Name(3S,6Z,8E,11S,15R)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione;
des-methyl Pateamine A
ChEMBL
DrugBank
ZINC
PDB chain6xki Chain A Residue 503 [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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PDB6xki Functional mimicry revealed by the crystal structure of an eIF4A:RNA complex bound to the interfacial inhibitor, desmethyl pateamine A.
Resolution2.87 Å
Binding residue
(original residue number in PDB)		G160 F163 Q195 D198
Binding residue
(residue number reindexed from 1)		G132 F135 Q167 D170
Annotation score1
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:0003725 double-stranded RNA binding
GO:0003743 translation initiation factor activity
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0002183 cytoplasmic translational initiation
GO:0006412 translation
GO:0006413 translational initiation
GO:0045944 positive regulation of transcription by RNA polymerase II
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016281 eukaryotic translation initiation factor 4F complex
GO:0048471 perinuclear region of cytoplasm
GO:0097165 nuclear stress granule

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6xki, PDBe:6xki, PDBj:6xki
PDBsum6xki
PubMed33412110
UniProtP60843|IF4A1_MOUSE Eukaryotic initiation factor 4A-I (Gene Name=Eif4a1)

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