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Ligand · KDL

KDL · (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl) ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R}, 5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S}, 4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(o

KDL, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl) ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R}…

Component
KDL
Formula
C110 H202 N2 O39 P2
Class
ligand
Structures
5
PDB entries
4

Binding sites

KDL in 5 structures; the first of them:

  • 7SEL · E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3) · KDL B602 · binds ASP41, LEU45, ARG78, GLN256, MET295, ARG296, ASP41, LEU45 and 5 more
  • 8DMM · Structure of the vanadate-trapped MsbA bound to KDL · KDL A802 · binds ILE177, ALA181, VAL184, VAL185, ARG188, ASN235, ARG236, ARG238 and 18 more
  • 8I8R · Cryo-EM Structure of OmpC3-MlaA Complex in MSP2N2 Nanodiscs · KDL A401 · binds PHE109, TYR111, ALA150, TYR152, VAL168, GLN169, TYR170, LYS173 and 18 more
  • 8I8X · Cryo-EM Structure of OmpC3-MlaA-MlaC Complex in MSP2N2 Nanodiscs · KDL A401 · binds PHE109, TYR111, ALA150, THR151, TYR152, VAL168, GLN169, TYR170 and 16 more
  • 7SEL · E. COLI msba in complex with lps and inhibitor G7090 (compound 3) · KDL B602 · binds ARG78, ARG296, ASP41, LEU45, ARG78, GLN256, ARG296, LYS299

Residues it binds most

VAL 8, LYS 10, TYR 8, ARG 10, ASP 8, LEU 10, PHE 6, ALA 8, ILE 5, GLN 10 (residue and the binding sites it lines).

Found with

  • 95X · (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid
  • AOV · Adp orthovanadate

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