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Ligand · 80P

80P · (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

80P, (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide (C28 H32 F3 N3 O7, 579.6 g/mol), in the MolNFT structures on…

Component
80P
Formula
C28 H32 F3 N3 O7
Class
ligand
Structures
3
PDB entries
3

Binding sites

80P in 3 structures; the first of them:

  • 7RYG · A. baumannii Ribosome-TP-6076 complex: E-site tRNA 70S · 80P a1601 · binds U962, 2MG963, G1050, C1051, C1192, A1193, A1194, G1195
  • 7RYH · A. baumannii Ribosome-TP-6076 complex: Empty 70S · 80P a1601 · binds U962, 2MG963, G1050, C1051, C1192, A1193, A1194, G1195
  • 7RY3 · Multidrug efflux pump adej with tp-6076 bound · 80P C1101 · binds GLN87, VAL139, PHE178, GLY179, PHE277, SER279, ALA326, TYR327 and 4 more

Residues it binds most

A 6, G 6, C 6, PHE 1, U 4, 2MG 2, ALA 1, GLN 1, GLY 1, SER 1 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion

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