Structure of PDB 1d4m Chain 1 Binding Site BS02

Receptor Information
>1d4m Chain 1 (length=284) Species: 12067 (Coxsackievirus A9) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDVEEAIERAVVHVADTMRSGPSNSASVPALTAVETGHTSQVTPSDTMQT
RHVKNYHSRSESTVENFLGRSACVYMEEYKTTDNDVNKKFVAWPINTKQM
VQMRRKLEMFTYLRFDMEVTFVITSRQDPGTTLAQDMPVLTHQIMYVPPG
GPIPAKVDDYAWQTSTNPSIFWTEGNAPARMSIPFISIGNAYSNFYDGWS
NFDQRGSYGYNTLNNLGHIYVRHVSGSSPHPITSTIRVYFKPKHTRAWVP
RPPRLCQYKKAFSVDFTPTPITDTRKDINTVTTV
Ligand information
Ligand IDW71
InChIInChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3
InChIKeyFKLJPTJMIBLJAV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc(CCCCCCCOc2ccc(cc2)C3=NCCO3)on1
OpenEye OEToolkits 1.5.0Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=NCCO3
ACDLabs 10.04N1=C(OCC1)c3ccc(OCCCCCCCc2onc(c2)C)cc3
FormulaC20 H26 N2 O3
Name5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE;
COMPOUND IV
ChEMBLCHEMBL283639
DrugBankDB08726
ZINCZINC000001530460
PDB chain1d4m Chain 1 Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1d4m The crystal structure of coxsackievirus A9: new insights into the uncoating mechanisms of enteroviruses.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		N96 T97 S187 I188 Y192 S193 Y210 T212 L213 N214 N215
Binding residue
(residue number reindexed from 1)		N96 T97 S187 I188 Y192 S193 Y210 T212 L213 N214 N215
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.22.28: picornain 3C.
3.4.22.29: picornain 2A.
3.6.1.15: nucleoside-triphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0005198 structural molecule activity

View graph for
Molecular Function
External links
PDB RCSB:1d4m, PDBe:1d4m, PDBj:1d4m
PDBsum1d4m
PubMed10647183
UniProtP21404|POLG_CXA9 Genome polyprotein

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