Structure of PDB 7lu9 Chain e Binding Site BS01

Receptor Information

>7lu9 Chain e (length=461) Species: 11676 (Human immunodeficiency virus 1)

ENLWVTVYYGVPVWKEAKTTLFCASDAKAYEKEVHNVWATHACVPTDPNP
QEMVLKNVTENFNMWKNDMVDQMHEDVISLWDQSLKPCVKLTPLCVTLNC
TNATASNSSIIEGMKNCSFNITTELRDKREKKNALFYKLDIVQLDGNSSQ
YRLINCNTSVITQACPKVSFDPIPIHYCAPAGYAILKCNNKTFTGTGPCN
NVSTVQCTHGIKPVVSTQLLLNGSLAEGEIIIRSENITNNVKTIIVHLNE
SVKIECTRPNNKTRTSIRIGPGQWFYATGQVIGDIREAYCNINESKWNET
LQRVSKKLKEYFPHKNITFQPSSGGDLEITTHSFNCGGEFFYCNTSSLFN
RTYMANSTDMANSTETNSTRTITIHCRIKQIINMWQEVGRAMYAPPIAGN
ITCISNITGLLLTRDGGKNNTETFRPGGGNMKDNWRSELYKYKVVKIEPL
GVAPTRCKRRV

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: 7lu9 Chain M Residue 5

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7lu9 Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
• Resolution: 5.6 Å
• Binding residue (original residue number in PDB): C378 G379 I443 T444
• Binding residue (residue number reindexed from 1): C336 G337 I401 T402
• Annotation score: 4

Gene Ontology

Cellular Component

• GO:0019031 viral envelope

External links

• PDB: RCSB:7lu9, PDBe:7lu9, PDBj:7lu9
• PDBsum: 7lu9
• PubMed: 34019795
• UniProt: M4M097