Structure of PDB 7gq8 Chain B Binding Site BS01

Receptor Information
>7gq8 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 IDT8O
InChIInChI=1S/C7H7F2NS/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2
InChIKeyODJCIHKBMUREOC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1N)SC(F)F
CACTVS 3.385Nc1ccc(SC(F)F)cc1
ACDLabs 12.01FC(F)Sc1ccc(N)cc1
FormulaC7 H7 F2 N S
Name4-[(difluoromethyl)sulfanyl]aniline
ChEMBL
DrugBank
ZINCZINC000002572376
PDB chain7gq8 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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PDB7gq8 PanDDA analysis group deposition
Resolution1.38 Å
Binding residue
(original residue number in PDB)		G1 F4 D99 P115
Binding residue
(residue number reindexed from 1)		G1 F4 D99 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:7gq8, PDBe:7gq8, PDBj:7gq8
PDBsum7gq8
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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