Structure of PDB 7gph Chain B Binding Site BS01

Receptor Information

>7gph Chain B (length=180) Species: 42789 (enterovirus D68)

GPGFDFAQAIMKKNTVIARTEKGEFTMLGVYDRVAVIPTHASVGEIIYIN
DVETRVLDACALRDLTDTNLEITIVKLDRNQKFRDIRHFLPRCEDDYNDA
VLSVHTSKFPNMYIPVGQVTNYGFLNLGGTPTHRILMYNFPTRAGQCGGV
VTTTGKVIGIHVGGNGAQGFAAMLLHSYFT

Ligand information

• Ligand ID: VWD
• InChI: InChI=1S/C9H12O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m0/s1
• InChIKey: FVZQEVNJWREWHU-VIFPVBQESA-N
• SMILES:
  CACTVS 3.385: C[S](=O)(=O)C[C@H](O)c1ccccc1
  OpenEye OEToolkits 2.0.7: CS(=O)(=O)C[C@@H](c1ccccc1)O
  CACTVS 3.385: C[S](=O)(=O)C[CH](O)c1ccccc1
  ACDLabs 12.01: c1(C(CS(C)(=O)=O)O)ccccc1
  OpenEye OEToolkits 2.0.7: CS(=O)(=O)CC(c1ccccc1)O
• Formula: C9 H12 O3 S
• Name: (1R)-2-(methylsulfonyl)-1-phenylethan-1-ol
• ZINC: ZINC000000393328
• PDB chain: 7gph Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7gph PanDDA analysis group deposition
• Resolution: 1.44 Å
• Binding residue (original residue number in PDB): T20 I46 Y48
• Binding residue (residue number reindexed from 1): T20 I46 Y48
• 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:7gph, PDBe:7gph, PDBj:7gph
• PDBsum: 7gph
• UniProt: Q68T42|POLG_HED68 Genome polyprotein