Structure of PDB 5u7m Chain G Binding Site BS01

Receptor Information

>5u7m Chain G (length=442) Species: 11676 (Human immunodeficiency virus 1)

AENLWVTVYYGVPVWKDAETTLFCASDAKAYKHNVWATHACVPTDPNPQE
IHLENVTEEFNMWKNNMVEQMHTDIISLWDQSLKPCVKLTPLCVTLQCTN
VTNNRGELKNCSFNMTTELRDKKQKVYSLFYRLDVVQINEYRLINCNTSA
ITQACPKVSFEPIPIHYCAPAGFAILKCKDKKFNGTGPCPSVSTVQCTHG
IKPVVSTQLLLNGSLAEEEVMIRSENITNNAKNILVQFNTPVQINCTRPN
NNTRKSIRIGPGQAFYATGDIIGDIRQAHCNVSKATWNETLGKVVKQLRK
HFGNNTIIRFANSSGGDLEVTTHSFNCGGEFFYCNTSGLFNSTWISNNDS
ITLPCRIKQIINMWQRIGQAMYAPPIQGVIRCVSNITGLILTRDGGSTNS
TTETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTRCKRRV

Ligand information

• Ligand ID: MAN
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-PQMKYFCFSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 5u7m Chain K Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5u7m Crystal structures of trimeric HIV envelope with entry inhibitors BMS-378806 and BMS-626529.
• Resolution: 3.025 Å
• Binding residue (original residue number in PDB): S209 E211
• Binding residue (residue number reindexed from 1): S159 E161
• Annotation score: 4

Gene Ontology

Cellular Component

• GO:0019031 viral envelope

External links

• PDB: RCSB:5u7m, PDBe:5u7m, PDBj:5u7m
• PDBsum: 5u7m
• PubMed: 28825711
• UniProt: Q2N0S5