Structure of PDB 7mxd Chain A Binding Site BS01

Receptor Information

>7mxd Chain A (length=472) Species: 11676 (Human immunodeficiency virus 1)

AENLWVTVYYGVPVWKDADTTLFCASDAKAHETEAHNIWATHACVPTDPN
PQEIYMENVTENFNMWKNNMVEQMQEDIISLWDQSLKPCVKLTPLCVTLS
CTNVTLTNVNYTNNFPNIGNITDEVRNCSFNVTTEIRDKKQKVYALFYKL
DIVQMENKNSYRLINCNTSVCKQACPKISFDPIPIHYCTPAGYAILKCNE
KNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEGEIIIRSENLTNN
AKTIIVHLNKSVEINCTRPSNNTRTSVTIGPGQVFYRTGDIIGDIRKAYC
EINGTKWNETLKQVVGKLKEHFPNKTISFQPPSGGDLEITMHHFNCRGEF
FYCNTTQLFNSTWINSTTIKEYNDTIIYLPCKIKQIINMWQGVGQCMYAP
PIRGKINCVSNITGILLTRDGGDANATNDTETFRPGGGNIKDNWRSELYK
YKVVQIEPLGIAPTKCKRRVVE

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: 7mxd Chain N Residue 5

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7mxd Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
• Resolution: 3.4 Å
• Binding residue (original residue number in PDB): K207 I208 S209
• Binding residue (residue number reindexed from 1): K177 I178 S179
• Annotation score: 4

Gene Ontology

Cellular Component

• GO:0019031 viral envelope

External links

• PDB: RCSB:7mxd, PDBe:7mxd, PDBj:7mxd
• PDBsum: 7mxd
• PubMed: 35319830
• UniProt: I6NF57