Structure of PDB 7gp6 Chain B Binding Site BS01

Receptor Information
>7gp6 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 IDUVJ
InChIInChI=1S/C11H13N3O/c1-8-13-9-4-2-3-5-10(9)14(8)7-6-11(12)15/h2-5H,6-7H2,1H3,(H2,12,15)
InChIKeyHZTUIHZIQKFSIL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1nc2ccccc2n1CCC(N)=O
OpenEye OEToolkits 2.0.7Cc1nc2ccccc2n1CCC(=O)N
ACDLabs 12.01n2(c1ccccc1nc2C)CCC(N)=O
FormulaC11 H13 N3 O
Name3-(2-methyl-1H-benzimidazol-1-yl)propanamide
ChEMBL
DrugBank
ZINCZINC000000560684
PDB chain7gp6 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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PDB7gp6 PanDDA analysis group deposition
Resolution1.73 Å
Binding residue
(original residue number in PDB)		T20 E21 Y48
Binding residue
(residue number reindexed from 1)		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:7gp6, PDBe:7gp6, PDBj:7gp6
PDBsum7gp6
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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