Structure of PDB 7gob Chain B Binding Site BS01

Receptor Information
>7gob 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 IDUR1
InChIInChI=1S/C7H8FNO2S/c1-5-2-6(8)4-7(3-5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyRMTMZIARFLDIKQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cc(F)cc(c1)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7Cc1cc(cc(c1)S(=O)(=O)N)F
ACDLabs 12.01c1c(S(N)(=O)=O)cc(C)cc1F
FormulaC7 H8 F N O2 S
Name3-fluoro-5-methylbenzene-1-sulfonamide
ChEMBL
DrugBank
ZINCZINC000074942597
PDB chain7gob 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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PDB7gob PanDDA analysis group deposition
Resolution1.45 Å
Binding residue
(original residue number in PDB)		G3 F4 D99 A100 V101 P115
Binding residue
(residue number reindexed from 1)		G3 F4 D99 A100 V101 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:7gob, PDBe:7gob, PDBj:7gob
PDBsum7gob
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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