Structure of PDB 7gqn Chain B Binding Site BS01

Receptor Information
>7gqn 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 IDU0O
InChIInChI=1S/C3H3IN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKeyBHCMXJKPZOPRNN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c([nH]cn1)I
ACDLabs 12.01Ic1cnc[NH]1
CACTVS 3.385Ic1[nH]cnc1
FormulaC3 H3 I N2
Name5-iodo-1H-imidazole
ChEMBL
DrugBank
ZINCZINC000004244878
PDB chain7gqn Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7gqn PanDDA analysis group deposition
Resolution1.44 Å
Binding residue
(original residue number in PDB)		F4 P115
Binding residue
(residue number reindexed from 1)		F4 P115
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:7gqn, PDBe:7gqn, PDBj:7gqn
PDBsum7gqn
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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