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Ligand · 88T

88T · (1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17, 18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4, 11}]tetracosane-6,9,16-trione

88T, (1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17, 18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4, 11}]tetracosane-6,9,16-trione (C22 H32 N6 O9, 524.5 g/mol), in the MolNFT…

Component
88T
Formula
C22 H32 N6 O9
Class
ligand
Structures
7
PDB entries
4

Binding sites

88T in 7 structures; the first of them:

  • 7PH2 · Nanodisc reconstituted MsbA in complex with nanobodies, spin-labeled at position A60C · 88T C200 · binds GLU567, GLU46, CYS60, ASP61, SER62
  • 7PH3 · AMP-PNP bound nanodisc reconstituted MsbA with nanobodies, spin-labeled at position A60C · 88T C200 · binds GLU567, ARG38, GLU46, CYS60
  • 7PH4 · AMP-PNP bound nanodisc reconstituted MsbA with nanobodies, spin-labeled at position T68C · 88T C200 · binds THR57, TYR59, PHE67, CYS68, ILE69
  • 7PH2 · Nanodisc reconstituted msba in complex with nanobodies, spin-labeled at position A60C · 88T C200 · binds GLU567, GLU46, CYS60, SER62
  • 7PH3 · AMP-pnp bound nanodisc reconstituted msba with nanobodies, spin- labeled at position A60C · 88T C200 · binds GLU567, GLU46, CYS60
  • 7PH4 · AMP-pnp bound nanodisc reconstituted msba with nanobodies, spin- labeled at position T68C · 88T C200 · binds THR57, TYR59, PHE67, CYS68, ILE69
  • 7PH7 · Nanodisc reconstituted msba in complex with nanobodies, spin-labeled at position T68C · 88T C200 · binds TYR59, PHE67, CYS68, SER70

Residues it binds most

CYS 14, GLU 7, TYR 6, PHE 5, ARG 4, THR 4, ILE 3, SER 3, ASP 2 (residue and the binding sites it lines).

Found with

  • GD · Gadolinium atom
  • ANP · Phosphoaminophosphonic acid-adenylate ester
  • MG · Magnesium ion
  • LMT · Dodecyl-beta-D-maltoside
  • EIW · (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl) ethyl]-4-[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{S}, 6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{R})-3-nonanoyloxytetradecanoyl]oxy-5-[[(3~{R})-3-octanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S}, 4~{S},5~{S},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanylnonanoyl]amino]-4-[(3~{R})-3-oxidanylt
  • 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine

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