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Ligand · WKE

WKE · (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

WKE, (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 (C11 H20 N2 O7, 292.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every…

Component
WKE
Formula
C11 H20 N2 O7
Class
ligand
Structures
4
PDB entries
4

Binding sites

WKE in 4 structures; the first of them:

  • 8P2V · Neisseria meningitidis Type IV pilus SB-GATDH variant · WKE A202 · binds TYR50, GLU56, TRP57, PRO58, GLY59, SER62, SER63
  • 8P3B · Neisseria meningitidis Type IV pilus SA-GATDH variant · WKE A202 · binds TYR50, GLU56, TRP57, PRO58, GLY59, ASP60, SER62, SER63 and 1 more
  • 8PIJ · Neisseria meningitidis Type IV pilus SB-GATDH variant bound to the C24 nanobody · WKE A202 · binds TYR50, GLU56, TRP57, PRO58, GLY59, ASP60, SER63, ALA129 and 2 more
  • 8PJP · Neisseria meningitidis PilE, SB-GATDH variant, bound to the F10 nanobody · WKE A202 · binds TYR50, GLU56, TRP57, PRO58, GLY59, SER63, GLN33, ALA35 and 6 more

Residues it binds most

SER 4, GLY 4, TYR 4, GLU 4, PRO 4, TRP 4, ALA 2, ARG 2, ASP 2, GLN 1 (residue and the binding sites it lines).

Found with

  • G3P · Sn-glycerol-3-phosphate

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