Structure of PDB 7gpx Chain B Binding Site BS01

Receptor Information
>7gpx 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 IDUUJ
InChIInChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
InChIKeyPVCONXMDUZOPJH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1Br)C#N)O
CACTVS 3.385Oc1ccc(Br)cc1C#N
ACDLabs 12.01c1(cc(c(cc1)O)C#N)Br
FormulaC7 H4 Br N O
Name5-bromo-2-hydroxybenzonitrile
ChEMBLCHEMBL2323844
DrugBank
ZINCZINC000002516785
PDB chain7gpx 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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PDB7gpx PanDDA analysis group deposition
Resolution1.2 Å
Binding residue
(original residue number in PDB)		D64 L65 R134
Binding residue
(residue number reindexed from 1)		D64 L65 R134
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:7gpx, PDBe:7gpx, PDBj:7gpx
PDBsum7gpx
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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