Structure of PDB 7gp0 Chain B Binding Site BS01

Receptor Information
>7gp0 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 IDLL0
InChIInChI=1S/C7H7F2NO3S/c8-7(9)13-5-3-1-2-4-6(5)14(10,11)12/h1-4,7H,(H2,10,11,12)
InChIKeyXDODAVQVIOWLPT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1ccccc1OC(F)F
ACDLabs 12.01O=S(N)(=O)c1ccccc1OC(F)F
OpenEye OEToolkits 2.0.7c1ccc(c(c1)OC(F)F)S(=O)(=O)N
FormulaC7 H7 F2 N O3 S
Name2-(difluoromethoxy)benzene-1-sulfonamide
ChEMBL
DrugBank
ZINCZINC000036948432
PDB chain7gp0 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7gp0 PanDDA analysis group deposition
Resolution1.47 Å
Binding residue
(original residue number in PDB)		P2 D99 P115 G117
Binding residue
(residue number reindexed from 1)		P2 D99 P115 G117
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:7gp0, PDBe:7gp0, PDBj:7gp0
PDBsum7gp0
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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