Ligand · 3NY
3NY · 5-nitro-1H-benzotriazole
3NY, 5-nitro-1H-benzotriazole (C6 H4 N4 O2, 164.1 g/mol), in the MolNFT structures on GenesisL1: bound in 11 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…
- Component
- 3NY
- Formula
- C6 H4 N4 O2
- Class
- ligand
- Structures
- 11
- PDB entries
- 6
Binding sites
3NY in 11 structures; the first of them:
- 3NYD · Crystal Structure of Kemp Eliminase HG-2 Complexed with Transition State Analog 5-Nitro… · 3NY A317 · binds ALA21, TRP44, PRO45, GLY82, GLY83, MET84, ASP127, LEU236 and 4 more
- 3NZ1 · Crystal Structure of Kemp Elimination Catalyst 1A53-2 Complexed with Transition State… · 3NY A262 · binds ALA51, TYR52, LYS53, ALA81, ILE82, ALA83, PHE89, TRP110 and 3 more
- 3Q2D · Optimization of the in silico designed Kemp eliminase KE70 by computational design and… · 3NY A273 · binds HIS17, PHE49, ARG71, CYS73, SER102, VAL103, ALA104, ALA139 and 5 more
- 7VUS · Crystal structure of AlleyCat9 with 5-nitro-benzotriazole · 3NY A101 · binds GLU17, ILE25, LEU30, MET34, ARG37, LEU49, HIS50, THR53 and 5 more
- 7VUU · Crystal structure of AlleyCat10 with inhibitor · 3NY A101 · binds GLU17, ILE25, LEU30, MET34, ARG37, LEU49, HIS50, THR53 and 5 more
- 8FOQ · Crystal Structure of Kemp Eliminase 1A53-core with bound transition state analogue · 3NY A502 · binds ALA51, ARG53, ALA81, VAL82, ALA83, PHE89, TRP110, GLU178 and 2 more
- 3NYD · Crystal structure of kemp eliminase hg-2 complexed with transition state analog 5-nitro… · 3NY A317 · binds ALA21, TRP44, PRO45, GLY82, GLY83, MET84, ASP127, LEU236 and 4 more
- 3NZ1 · Crystal structure of kemp elimination catalyst 1A53-2 complexed with transition state… · 3NY A262 · binds ALA51, TYR52, LYS53, ALA81, ILE82, ALA83, PHE89, TRP110 and 3 more
- 3Q2D · Optimization of the in silico designed kemp eliminase KE70 by computational design and… · 3NY A273 · binds HIS17, PHE49, ARG71, CYS73, SER102, VAL103, ALA104, ALA139 and 5 more
- 7VUS · Crystal structure of ALLEYCAT9 with 5-nitro-benzotriazole · 3NY A101 · binds GLU17, LEU30, MET34, ARG37, LEU49, HIS50, THR53, VAL61 and 3 more
- 7VUU · Crystal structure of ALLEYCAT10 with inhibitor · 3NY A101 · binds GLU17, LEU30, MET34, ARG37, LEU49, HIS50, THR53, VAL61 and 2 more
Residues it binds most
MET 20, LEU 20, ARG 19, VAL 25, PHE 23, ALA 11, GLU 19, HIS 18, THR 18, PRO 17 (residue and the binding sites it lines).
Found with
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