Structure of PDB 7gp9 Chain A Binding Site BS01

Receptor Information
>7gp9 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 IDSTV
InChIInChI=1S/C10H13NO4S/c1-2-16(12,13)11-6-8-3-4-9-10(5-8)15-7-14-9/h3-5,11H,2,6-7H2,1H3
InChIKeyUKPLBUIFSDRLEZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC[S](=O)(=O)NCc1ccc2OCOc2c1
OpenEye OEToolkits 2.0.6CCS(=O)(=O)NCc1ccc2c(c1)OCO2
FormulaC10 H13 N O4 S
Name~{N}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide
ChEMBL
DrugBank
ZINCZINC000000054604
PDB chain7gp9 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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PDB7gp9 PanDDA analysis group deposition
Resolution1.4 Å
Binding residue
(original residue number in PDB)		H40 E71 L127 G128 V162 G163 G164
Binding residue
(residue number reindexed from 1)		H41 E72 L128 G129 V163 G164 G165
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:7gp9, PDBe:7gp9, PDBj:7gp9
PDBsum7gp9
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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