Structure of PDB 8p3b Chain A Binding Site BS02

Receptor Information

>8p3b Chain A (length=159) Species: 604162 (Neisseria meningitidis 8013)

FTLIELMIVIAIVGILAAVALPAYQDYTARAQVSEAILLAEGQKSAVTEY
YLNHGEWPGDNSSAGVATSADIKGKYVKEVEVKNGVITAQMASSNVNNEI
KGKKLSLWAKRQDGSVKWFCGLPVARDDTDSATDVKADTTDNINTKHLPS
TCRDDSSAS

Ligand information

• Ligand ID: WKE
• InChI: InChI=1S/C11H20N2O7/c1-4-7(13-10(18)6(16)3-14)9(17)8(11(19)20-4)12-5(2)15/h4,6-9,11,14,16-17,19H,3H2,1-2H3,(H,12,15)(H,13,18)/t4-,6-,7-,8-,9+,11-/m1/s1
• InChIKey: ZAABMPWLDGVWSW-VQYCFQGSSA-N
• SMILES:
  CACTVS 3.385: C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1NC(=O)[CH](O)CO
  CACTVS 3.385: C[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1NC(=O)[C@H](O)CO
  OpenEye OEToolkits 2.0.7: CC1C(C(C(C(O1)O)NC(=O)C)O)NC(=O)C(CO)O
  OpenEye OEToolkits 2.0.7: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)NC(=O)[C@@H](CO)O
• Formula: C11 H20 N2 O7
• Name: (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide
• PDB chain: 8p3b Chain A Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8p3b Cryo-EM structures of type IV pili complexed with nanobodies reveal immune escape mechanisms.
• Resolution: 3.15 Å
• Binding residue (original residue number in PDB): Y50 G59 S63
• Binding residue (residue number reindexed from 1): Y50 G59 S63
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0007155 cell adhesion

Cellular Component

• GO:0009289 pilus
• GO:0016020 membrane

External links

• PDB: RCSB:8p3b, PDBe:8p3b, PDBj:8p3b
• PDBsum: 8p3b
• PubMed: 38499587
• UniProt: Q59621