Structure of PDB 2muw Chain C Binding Site BS01

Receptor Information

>2muw Chain C (length=31) Species: 499433 (Influenza A virus (A/Hong Kong/CUHK43751/2005(H3N2)))

SNDSSDPLVVAASIIGILHLILWILDRLFFK

Ligand information

• Ligand ID: 3LW
• InChI: InChI=1S/C15H20BrNS/c16-14-2-1-13(18-14)9-17-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12,17H,3-9H2/p+1/t10-,11+,12-,15-
• InChIKey: IEDXEJPASCHMKZ-WUQLGEGHSA-O
• SMILES:
  ACDLabs 12.01: Brc1sc(cc1)C[NH2+]C34CC2CC(CC(C2)C3)C4
  OpenEye OEToolkits 1.7.6: c1cc(sc1C[NH2+]C23CC4CC(C2)CC(C4)C3)Br
  CACTVS 3.385: Brc1sc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1
• Formula: C15 H21 Br N S
• Name: (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium
• PDB chain: 2muw Chain C Residue 100

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2muw Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel.
• Resolution: N/A
• Binding residue (original residue number in PDB): A30 G34
• Binding residue (residue number reindexed from 1): A12 G16
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015078 proton transmembrane transporter activity

Biological Process

• GO:1902600 proton transmembrane transport

Cellular Component

• GO:0033644 host cell membrane
• GO:0055036 virion membrane

External links

• PDB: RCSB:2muw, PDBe:2muw, PDBj:2muw
• PDBsum: 2muw
• PubMed: 25470189
• UniProt: B0LX40