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Ligand · NZ1

NZ1 · 5-methoxy-1,3-benzothiazol-2-amine

NZ1, 5-methoxy-1,3-benzothiazol-2-amine (C8 H8 N2 O S, 180.2 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (8 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
NZ1
Formula
C8 H8 N2 O S
Class
ligand
Structures
9
PDB entries
8

Binding sites

NZ1 in 9 structures; the first of them:

  • 5QS1 · PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with… · NZ1 A306 · binds PRO117, GLN118, ALA119, PRO120, SER121, MET159, LEU160, ASN161 and 1 more
  • 5SNN · PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa… · NZ1 B501 · binds MET173, ARG176, ASN177, TYR180, GLU182, ARG176, ASN177, TYR180 and 1 more
  • 7FSK · SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with… · NZ1 C301 · binds ASP204, HIS208, GLY210, PHE211, ILE212, VAL222, SER225, SER205
  • 7H3W · Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A… · NZ1 B201 · binds ALA23, THR24, HIS25, TRP28
  • 7HMC · PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with… · NZ1 B202 · binds ARG38, THR77, GLN78, ALA184, ALA185, PRO186
  • 7HOF · Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A… · NZ1 B201 · binds ALA23, THR24, HIS25, TRP28
  • 8PLF · Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 16. · NZ1 A602 · binds TYR138, ASN225, ALA226, LYS227, THR239, ASP240, LYS241, GLN243
  • 5QS1 · Pandda analysis group deposition -- crystal structure of human brachyury in complex with… · NZ1 A306 · binds PRO117, GLN118, ALA119, SER121, MET159, LEU160, ASN161
  • 5S37 · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · NZ1 A401 · binds ALA21, ASP22, ILE23, VAL49, ALA52, ALA154, VAL155, PHE156

Residues it binds most

ALA 9, SER 5, THR 7, ASN 5, GLN 6, PRO 5, ASP 5, GLY 3, TYR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • CD · Cadmium ion
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • ALA · Alanine
  • DGL · D-glutamic acid
  • FAD · Flavin-adenine dinucleotide
  • GLY · Glycine
  • PO4 · Phosphate ion

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