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Ligand · NUA

NUA · N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide

NUA, N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide (C10 H15 N3 O, 193.2 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
NUA
Formula
C10 H15 N3 O
Class
ligand
Structures
7
PDB entries
4

Binding sites

NUA in 7 structures; the first of them:

  • 5QQX · PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with… · NUA B602 · binds PRO274
  • 5QRF · PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with… · NUA A306 · binds SER89, ILE125, HIS126, PRO127, SER129, VAL175, ARG180
  • 5RM5 · PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex… · NUA B701 · binds SER301, ARG303, LEU352, GLN354, THR366, THR367
  • 5QQX · Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with… · NUA B602 · binds PRO274
  • 5QRF · Pandda analysis group deposition -- crystal structure of human brachyury in complex with… · NUA A306 · binds SER89, ILE125, HIS126, PRO127, SER129, VAL175, ARG180
  • 5RKN · Pandda analysis group deposition -- crystal structure of phip in complex with Z373768900 · NUA A1501 · binds PRO1340, GLN1343, PRO1344, VAL1345, ASP1346, TYR1350, TYR1395, ILE1403
  • 5RM5 · Pandda analysis group deposition -- crystal structure of SARS-cov-2 helicase in complex… · NUA B701 · binds SER301, ARG303, LEU352, GLN354, THR366, THR367

Residues it binds most

SER 8, TYR 5, THR 6, ILE 7, PRO 5, ARG 4, LYS 4, GLN 3, VAL 3, HIS 2 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate
  • CD · Cadmium ion
  • ZN · Zinc ion
  • PO4 · Phosphate ion

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