Structure of PDB 7gq9 Chain A Binding Site BS01

Receptor Information
>7gq9 Chain A (length=182) Species: 42789 (enterovirus D68) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGPGFDFAQAIMKKNTVIARTEKGEFTMLGVYDRVAVIPTHASVGEIIYI
NDVETRVLDACALRDLTDTNLEITIVKLDRNQKFRDIRHFLPRCEDDYND
AVLSVHTSKFPNMYIPVGQVTNYGFLNLGGTPTHRILMYNFPTRAGQCGG
VVTTTGKVIGIHVGGNGAQGFAAMLLHSYFTD
Ligand information
Ligand IDT9F
InChIInChI=1S/C12H15NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-6,13H,7-9H2,1H3
InChIKeyXWENGDIACIBQQL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01COc1ccc(cc1)C1=CCNCC1
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COc1ccc(cc1)C2=CCNCC2
FormulaC12 H15 N O
Name4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine
ChEMBL
DrugBank
ZINCZINC000019280545
PDB chain7gq9 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7gq9 PanDDA analysis group deposition
Resolution1.37 Å
Binding residue
(original residue number in PDB)		K13 R33 R79 Q81 F83
Binding residue
(residue number reindexed from 1)		K14 R34 R80 Q82 F84
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:0004197 cysteine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:7gq9, PDBe:7gq9, PDBj:7gq9
PDBsum7gq9
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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