Structure of PDB 6tw1 Chain A Binding Site BS02

Receptor Information
>6tw1 Chain A (length=703) Species: 1129347 (Influenza A virus (A/little yellow-shouldered bat/Guatemala/060/2010(H17N10))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MENFVRTNFNPMILERAEKTMKEYGENPQNEGNKFAAISTHMEVCFMYSD
FHFIDLEGNTIVKENMLKHRFEIIEGQERNIAWTIVNSICNMTENSKPRF
LPDLYDYKTNKFIEIGVTRRKVEDYYYEKASKLKGENVYIHIFSFDGEEM
ATDDEYILDEESRARIKTRLFVLRQELATAGLWDSFRQSEEEEFSYPPTF
QRLANQSLPPSFKDYHQFKAYVSSFKANGNIEAKLGAMSEKVNAQIESFD
PRTIRELELPEGKFCTQRSKFLLMDAMKLSVLNPAHEGEGIPMKDAKACL
DTFWGWKKATIIKKHEKGVNTNYLMIWEQLLESIKEMEGKFLNLKKTNHL
KWGLGEGQAPEKMDFEDCKEVPDLFQYKSEPPEKRKLASWIQSEFNKASE
LTNSNWIEFDELGNDVAPIEHIASRRRNFFTAEVSQCRASEYIMKAVYIN
TALLNSSCTAMEEYQVIPIITKCRDTSGQRRTNLYGFIIKGRSHLRNDTD
VVNFISLEFSLTDPRNEIHKWEKYCVLEIGDMEIRTSISTIMKPVYLYVR
TNGTSKIKMKWGMEMRRCLLQSLQQVESMIEAESAVKEKDMTEPFFRNRE
NDWPIGESPQGIEKGTIGKVCRVLLAKSVFNSIYASAQLEGFSAESRKLL
LLIQAFRDNLDPGTFDLKGLYEAIEECIINDPWVLLNASWFNSFLKAVQL
SMG
Ligand information
Ligand IDM4H
InChIInChI=1S/C19H19N3O4/c23-15-11-21(10-14(16(15)24)18(25)26)12-19(6-1-2-7-19)22-9-5-13-4-3-8-20-17(13)22/h3-5,8-11,23H,1-2,6-7,12H2,(H,25,26)
InChIKeyOTPKNUJKFUZRDR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2ccn(c2nc1)C3(CCCC3)CN4C=C(C(=O)C(=C4)O)C(=O)O
CACTVS 3.385OC(=O)C1=CN(CC2(CCCC2)n3ccc4cccnc34)C=C(O)C1=O
FormulaC19 H19 N3 O4
Name5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
ChEMBLCHEMBL3944613
DrugBank
ZINC
PDB chain6tw1 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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PDB6tw1 A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y24 A37 I38 H41 E80 D108 E119 I120
Binding residue
(residue number reindexed from 1)		Y24 A37 I38 H41 E75 D103 E114 I115
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0046872 metal ion binding
Biological Process
GO:0039694 viral RNA genome replication
GO:0075523 viral translational frameshifting

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6tw1, PDBe:6tw1, PDBj:6tw1
PDBsum6tw1
PubMed32304664
UniProtH6QM92

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