Structure of PDB 7go7 Chain B Binding Site BS01

Receptor Information
>7go7 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 IDHWH
InChIInChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChIKeyUDLASALUJLTGJV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)NCCc1c[nH]c2c1cc(cc2)F
CACTVS 3.385CC(=O)NCCc1c[nH]c2ccc(F)cc12
FormulaC12 H13 F N2 O
Name~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide
ChEMBLCHEMBL284521
DrugBank
ZINCZINC000000077351
PDB chain7go7 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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PDB7go7 PanDDA analysis group deposition
Resolution1.42 Å
Binding residue
(original residue number in PDB)		R19 T20 E21 I46 Y48
Binding residue
(residue number reindexed from 1)		R19 T20 E21 I46 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:7go7, PDBe:7go7, PDBj:7go7
PDBsum7go7
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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