Structure of PDB 7gqi Chain A Binding Site BS01

Receptor Information
>7gqi 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 IDYG0
InChIInChI=1S/C10H11NO/c12-10(8-6-7-8)11-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,12)
InChIKeyOCHYJSATRBHPLB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)NC(=O)C2CC2
CACTVS 3.385O=C(Nc1ccccc1)C2CC2
ACDLabs 12.01O=C(Nc1ccccc1)C1CC1
FormulaC10 H11 N O
NameN-phenylcyclopropanecarboxamide
ChEMBL
DrugBank
ZINCZINC000013953909
PDB chain7gqi Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7gqi PanDDA analysis group deposition
Resolution1.49 Å
Binding residue
(original residue number in PDB)		R143 Q146
Binding residue
(residue number reindexed from 1)		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:7gqi, PDBe:7gqi, PDBj:7gqi
PDBsum7gqi
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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