Structure of PDB 7gqj Chain A Binding Site BS01

Receptor Information
>7gqj 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 IDH3R
InChIInChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
InChIKeyQHRSESMSOJZMCO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01n2c(cc(c1ccccc1)n2)C
CACTVS 3.385
OpenEye OEToolkits 1.9.2		Cc1cc([nH]n1)c2ccccc2
FormulaC10 H10 N2
Name5-METHYL-3-PHENYL-1H-PYRAZOLE
ChEMBLCHEMBL1411986
DrugBank
ZINCZINC000003832560
PDB chain7gqj 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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PDB7gqj PanDDA analysis group deposition
Resolution1.41 Å
Binding residue
(original residue number in PDB)		F109 M112 R143 Q146
Binding residue
(residue number reindexed from 1)		F110 M113 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:7gqj, PDBe:7gqj, PDBj:7gqj
PDBsum7gqj
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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