Structure of PDB 1rv0 Chain L Binding Site BS01

Receptor Information

>1rv0 Chain L (length=324) Species: 11320 (Influenza A virus)

DTLCIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDSHNGKLCRLGGIAPL
QLGKCNIAGWLLGNPECDLLLTVSSWSYIVETSNSDNGTCYPGDFIDYEE
LREQLSSVSSFEKFEIFPKTSSWPNHETTRGVTAACPYAGASSFYRNLLW
LVKKGNSYPKLSKSYVNNKGKEVLVLWGVHHPPTSTDQQSLYQNADAYVS
VGSSKYDRRFTPEIAARPKVRGQAGRMNYYWTLLEPGDTITFEATGNLVA
PRYAFALNRGSGSGIITSDAPVHDCDTKCQTPHGAINSSLPFQNIHPVTI
GECPKYVKSTKLRMATGLRNIPAR

Ligand information

• Ligand ID: DAN
• InChI: InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
• InChIKey: JINJZWSZQKHCIP-UFGQHTETSA-N
• SMILES:
  ACDLabs 10.04: O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1
  OpenEye OEToolkits 1.5.0: CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)O
  OpenEye OEToolkits 1.5.0: CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O
  CACTVS 3.341: CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
  CACTVS 3.341: CC(=O)N[CH]1[CH](O)C=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O
• Formula: C11 H17 N O8
• Name: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID;
  Neu5Ac2en
• ChEMBL: CHEMBL96712
• DrugBank: DB03991
• ZINC: ZINC000004096465
• PDB chain: 1rv0 Chain L Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1rv0 The structure and receptor binding properties of the 1918 influenza hemagglutinin.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): Y95 R133A V135 T136 A137 W153 H183 L194 Q226
• Binding residue (residue number reindexed from 1): Y91 R130 V132 T133 A134 W150 H180 L191 Q223
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0046789 host cell surface receptor binding

Biological Process

• GO:0019064 fusion of virus membrane with host plasma membrane

Cellular Component

• GO:0019031 viral envelope

External links

• PDB: RCSB:1rv0, PDBe:1rv0, PDBj:1rv0
• PDBsum: 1rv0
• PubMed: 14764886
• UniProt: Q82500