Structure of PDB 8b3b Chain A Binding Site BS01

Receptor Information

>8b3b Chain A (length=362) Species: 5691 (Trypanosoma brucei)

VNGAGLLQTVWGPVCELTSELDGQAGAALKKEQEMLAKINDMQMAQLRAA
IYLAKNPSTPHQNALAVLTAYYAERAGSGKAYFLHALPKAVDSIRRAAYL
KGHLDEYLNLLEKSSGGNNKCLVTTDDATVATRGGDQKLAGKNCKLSLSP
LKPVDAALTYITKAGVGKLRYDDGGAGGNAVTPSKSGVHACKLLIAHNTA
GYGDGGGVTADIDVFAGYMKVKATDAEPKLAAKSDLEEGGGGGAEAWKAL
HTAIKQEADAEAAELTNETGKLGERRHFLAAATNVLGGRAAVEAAFGSDS
EGGDRKIIELIEKELIVKGTANRDADESLGNIKTLKELGELLSYFQLKNS
NTINELRNKLKA

Ligand information

• Ligand ID: BMA
• 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-RWOPYEJCSA-N
• SMILES:
  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(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]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: beta-D-mannopyranose;
  beta-D-mannose;
  D-mannose;
  mannose
• ZINC: ZINC000003830679
• PDB chain: 8b3b Chain I Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8b3b Structural similarities between the metacyclic and bloodstream form variant surface glycoproteins of the African trypanosome.
• Resolution: 1.949 Å
• Binding residue (original residue number in PDB): G367 K370
• Binding residue (residue number reindexed from 1): G330 K333
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0042783 evasion of host immune response

External links

• PDB: RCSB:8b3b, PDBe:8b3b, PDBj:8b3b
• PDBsum: 8b3b
• PubMed: 36780870
• UniProt: M4SYA9