Ligand · TNL
TNL · 2,4,6-trinitrotoluene
TNL, 2,4,6-trinitrotoluene (C7 H5 N3 O6, 227.1 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.
- Component
- TNL
- Formula
- C7 H5 N3 O6
- Class
- ligand
- Structures
- 6
- PDB entries
- 3
Binding sites
TNL in 6 structures; the first of them:
- 1GVR · Structure of pentaerythritol tetranitrate reductase and complexed with 2,4,6… · TNL A500 · binds THR26, ALA58, TYR68, TRP102, HIS181, HIS184, TYR186, ASP274 and 2 more
- 4AB4 · Structure of Xenobiotic Reductase B from Pseudomonas putida in complex with TNT · TNL A1357 · binds HIS173, ASN176, TYR178, ALA232, HIS233, ARG262, GLU286
- 4AEO · Structure of Xenobiotic Reductase B from Pseudomonas putida in complex with TNT · TNL A1355 · binds HIS173, ASN176, TYR178, ALA232, HIS233, ARG262
- 1GVR · Structure of pentaerythritol tetranitrate reductase and complexed with 2,4,6… · TNL A500 · binds THR26, ALA58, TYR68, TRP102, HIS181, HIS184, TYR186, ASP274 and 2 more
- 4AB4 · Structure of xenobiotic reductase B from pseudomonas putida in complex with tnt · TNL A1357 · binds HIS173, ASN176, TYR178, ALA232, HIS233, ARG262, GLU286
- 4AEO · Structure of xenobiotic reductase B from pseudomonas putida in complex with tnt · TNL A1355 · binds HIS173, ASN176, TYR178, ALA232, HIS233, ARG262
Residues it binds most
HIS 10, TYR 10, ALA 10, ASN 8, ARG 6, THR 4, TRP 4, ASP 2, GLN 2, GLU 2 (residue and the binding sites it lines).
Found with
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