Structure of PDB 7gpw Chain B Binding Site BS01

Receptor Information
>7gpw 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 IDHHQ
InChIInChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-2H,3H2
InChIKeyGRVSGGNZRNHMQI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1C(=CC=NC1=O)I
CACTVS 3.385IC1=CC=NC(=O)C1
FormulaC5 H4 I N O
Name4-iodanyl-3~{H}-pyridin-2-one
ChEMBL
DrugBank
ZINC
PDB chain7gpw 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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PDB7gpw PanDDA analysis group deposition
Resolution1.42 Å
Binding residue
(original residue number in PDB)		R19 T20 I46 Y48
Binding residue
(residue number reindexed from 1)		R19 T20 I46 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:7gpw, PDBe:7gpw, PDBj:7gpw
PDBsum7gpw
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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