Structure of PDB 7gou Chain B Binding Site BS03

Receptor Information
>7gou Chain B (length=180) Species: 42789 (enterovirus D68) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPGFDFAQAIMKKNTVIARTEKGEFTMLGVYDRVAVIPTHASVGEIIYIN
DVETRVLDACALRDLTDTNLEITIVKLDRNQKFRDIRHFLPRCEDDYNDA
VLSVHTSKFPNMYIPVGQVTNYGFLNLGGTPTHRILMYNFPTRAGQCGGV
VTTTGKVIGIHVGGNGAQGFAAMLLHSYFT
Ligand information
Ligand IDUVA
InChIInChI=1S/C8H11NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h3-6,9H,1-2H3
InChIKeyYLDKGNWSSXYUAH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CNc1ccccc1[S](C)(=O)=O
OpenEye OEToolkits 2.0.7CNc1ccccc1S(=O)(=O)C
ACDLabs 12.01c1cc(S(C)(=O)=O)c(NC)cc1
FormulaC8 H11 N O2 S
NameN-methyl-2-(methylsulfonyl)aniline
ChEMBL
DrugBank
ZINCZINC000034246003
PDB chain7gou Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7gou PanDDA analysis group deposition
Resolution1.46 Å
Binding residue
(original residue number in PDB)		C60 L62 R63 Y178
Binding residue
(residue number reindexed from 1)		C60 L62 R63 Y178
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7gou, PDBe:7gou, PDBj:7gou
PDBsum7gou
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

[Back to BioLiP]