Structure of PDB 7gqc Chain A Binding Site BS01

Receptor Information
>7gqc 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 IDT7L
InChIInChI=1S/C10H7NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKeyLCALUFNLWHYTKX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)c1cnc(s1)c1ccccc1
CACTVS 3.385OC(=O)c1sc(nc1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ncc(s2)C(=O)O
FormulaC10 H7 N O2 S
Name2-phenyl-1,3-thiazole-5-carboxylic acid
ChEMBLCHEMBL4572726
DrugBank
ZINCZINC000006116819
PDB chain7gqc 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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PDB7gqc PanDDA analysis group deposition
Resolution1.36 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:7gqc, PDBe:7gqc, PDBj:7gqc
PDBsum7gqc
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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