Structure of PDB 4cb6 Chain A Binding Site BS01

Receptor Information
>4cb6 Chain A (length=164) Species: 365107 (Influenza A virus (A/duck/Shantou/4610/2003(H5N1))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISSSFSFGGFTFKRTSGSSVKKEEEVLTGNLQTLKIRVHEGYEEFTMVGR
RATAILRKATRRLIQLIVSGRDEQSIAEAIIVAMVFSQEDCMIKAVRGDL
NFVNRANQRLNPMHQLLRHFQKDAKVLFQNWGIEPIDNVMGMIGILPDMT
PSTEMSLRGVRVSK
Ligand information
Ligand ID29R
InChIInChI=1S/C16H23N5O5/c1-20-10-21(9-5-3-7-12(24)25)14-13(20)15(26)19-16(18-14)17-8-4-2-6-11(22)23/h10H,2-9H2,1H3,(H3-,17,18,19,22,23,24,25,26)/p+1
InChIKeySFCJOCVKLRCOMS-UHFFFAOYSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cn1c[n+](c2c1C(=O)NC(=N2)NCCCCC(=O)O)CCCCC(=O)O
ACDLabs 12.01O=C(O)CCCCNC1=Nc2c(C(=O)N1)n(c[n+]2CCCCC(=O)O)C
CACTVS 3.385Cn1c[n+](CCCCC(O)=O)c2N=C(NCCCCC(O)=O)NC(=O)c12
FormulaC16 H24 N5 O5
Name2,9-N,N-DI(4-CARBOXYBUTYL)-7-N-METHYLGUANINE
ChEMBL
DrugBank
ZINCZINC000095921276
PDB chain4cb6 Chain A Residue 1483 [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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PDB4cb6 New 7-Methyl-Guanosine Derivatives Targeting the Influenza Polymerase Pb2 CAP-Binding Domain
Resolution1.9 Å
Binding residue
(original residue number in PDB)		S321 F323 H357 E361 F363 K376 F404 Q406
Binding residue
(residue number reindexed from 1)		S3 F5 H39 E43 F45 K58 F86 Q88
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links