Structure of PDB 7gqe Chain B Binding Site BS01

Receptor Information
>7gqe 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 IDT7U
InChIInChI=1S/C10H11NO2/c12-9-4-2-1-3-8(9)10(13)11-7-5-6-7/h1-4,7,12H,5-6H2,(H,11,13)
InChIKeyUWYBOEZQGCFECQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccccc1C(=O)NC2CC2
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)NC2CC2)O
ACDLabs 12.01O=C(NC1CC1)c1ccccc1O
FormulaC10 H11 N O2
NameN-cyclopropyl-2-hydroxybenzamide
ChEMBL
DrugBank
ZINCZINC000000340344
PDB chain7gqe 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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PDB7gqe PanDDA analysis group deposition
Resolution1.44 Å
Binding residue
(original residue number in PDB)		R19 T20 E21 Y48
Binding residue
(residue number reindexed from 1)		R19 T20 E21 Y48
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:7gqe, PDBe:7gqe, PDBj:7gqe
PDBsum7gqe
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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