Structure of PDB 7goq Chain A Binding Site BS01

Receptor Information

>7goq Chain A (length=182) Species: 42789 (enterovirus D68)

MGPGFDFAQAIMKKNTVIARTEKGEFTMLGVYDRVAVIPTHASVGEIIYI
NDVETRVLDACALRDLTDTNLEITIVKLDRNQKFRDIRHFLPRCEDDYND
AVLSVHTSKFPNMYIPVGQVTNYGFLNLGGTPTHRILMYNFPTRAGQCGG
VVTTTGKVIGIHVGGNGAQGFAAMLLHSYFTD

Ligand information

• Ligand ID: TV9
• InChI: InChI=1S/C11H14N2O/c1-8(10-3-2-6-12-7-10)13-11(14)9-4-5-9/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t8-/m0/s1
• InChIKey: XMSIZXIEDPYJDR-QMMMGPOBSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC(c1cccnc1)NC(=O)C2CC2
  ACDLabs 12.01: CC(NC(=O)C1CC1)c1cccnc1
  OpenEye OEToolkits 2.0.7: C[C@@H](c1cccnc1)NC(=O)C2CC2
  CACTVS 3.385: C[C@H](NC(=O)C1CC1)c2cccnc2
  CACTVS 3.385: C[CH](NC(=O)C1CC1)c2cccnc2
• Formula: C11 H14 N2 O
• Name: N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide
• ZINC: ZINC000058277865
• PDB chain: 7goq Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7goq PanDDA analysis group deposition
• Resolution: 1.3 Å
• Binding residue (original residue number in PDB): F6 I10 R84 F89
• Binding residue (residue number reindexed from 1): F7 I11 R85 F90
• Annotation score: 1

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

External links

• PDB: RCSB:7goq, PDBe:7goq, PDBj:7goq
• PDBsum: 7goq
• UniProt: Q68T42|POLG_HED68 Genome polyprotein