Structure of PDB 7gok Chain A Binding Site BS01

Receptor Information
>7gok 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 IDJAW
InChIInChI=1S/C9H8N2O/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,(H2,10,12)
InChIKeyGQMYQEAXTITUAE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC(=O)c1ccc2[nH]ccc2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc[nH]2)cc1C(=O)N
FormulaC9 H8 N2 O
Name1~{H}-indole-5-carboxamide
ChEMBLCHEMBL1435541
DrugBank
ZINCZINC000013816304
PDB chain7gok 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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PDB7gok PanDDA analysis group deposition
Resolution1.44 Å
Binding residue
(original residue number in PDB)		F140 R143 Q146
Binding residue
(residue number reindexed from 1)		F141 R144 Q147
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:7gok, PDBe:7gok, PDBj:7gok
PDBsum7gok
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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