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Ligand · NEN

NEN · 1-ethyl-pyrrolidine-2,5-dione

NEN, 1-ethyl-pyrrolidine-2,5-dione (C6 H9 N O2, 127.1 g/mol), in the MolNFT structures on GenesisL1: bound in 19 records (13 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
NEN
Formula
C6 H9 N O2
Class
ligand
Structures
19
PDB entries
13

Binding sites

NEN in 19 structures; the first of them:

  • 1CR5 · N-terminal domain of SEC18P · NEN A601 · binds CYS34, PRO35, ASN36, TYR39, ALA46, SER71, ASP73
  • 1RP4 · Structure of Ero1p, Source of Disulfide Bonds for Oxidative Protein Folding in the Cell · NEN A501 · binds GLN205, CYS208
  • 1RQ1 · Structure of Ero1p, Source of Disulfide Bonds for Oxidative Protein Folding in the Cell · NEN A501 · binds GLN205, CYS208
  • 2Z6B · Crystal Structure Analysis of (gp27-gp5)3 conjugated with Fe(III) protoporphyrin · NEN A607 · binds ASN6, CYS7, LYS89
  • 3M31 · Structure of the C150A/C295A mutant of S. cerevisiae Ero1p · NEN A501 · binds GLN205, ASN207, CYS208, LYS220
  • 3NVJ · Crystal structure of the C143A/C166A mutant of Ero1p · NEN A501 · binds GLN205, CYS208
  • 4H46 · Crystal Structure of AMP complexes of NEM modified Porcine Liver… · NEN A405 · binds SER124, ASN125, ASP127, CYS128, VAL130
  • 4US0 · The crystal structure of H-Ras and SOS in complex with ligands · NEN R1167 · binds GLY13, VAL14, GLY15, ALA83, ASN85, CYS118, ASP119, GLU942
  • 5LF6 · Human 20S proteasome complex with Z-LLY-ketoaldehyde at 2.1 Angstrom · NEN E304 · binds MET26, VAL29, LYS30, GLN146, THR147, CYS148, PRO149, PHE154
  • 6XB1 · Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL… · NEN A401 · binds LYS100, TYR101, LYS102, CYS156
  • 6XB2 · Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL… · NEN A401 · binds LYS100, LYS102, CYS156
  • 7SU8 · DIHYDRONEOPTERIN ALDOLASE (DHNA) FROM YERSINIA PESTIS with alkylated Cys50… · NEN A501 · binds ALA41, SER44, ASP45, ASP46, VAL47, ASP49, CYS50
  • 8E8V · Structure of the short LOR domain of human AASS bound to N-ethylsuccinimide · NEN A501 · binds PHE150, GLY151, GLN152, ASN226, CYS414, MET418
  • 1CR5 · N-terminal domain of SEC18P · NEN A601 · binds CYS34, PRO35, ASN36, TYR39, ALA46, SER71, ASP73
  • 1RP4 · Structure of ERO1P, source of disulfide bonds for oxidative protein folding in the cell · NEN A501 · binds GLN205, CYS208
  • 1RQ1 · Structure of ERO1P, source of disulfide bonds for oxidative protein folding in the cell · NEN A501 · binds GLN205, CYS208
  • 2Z6B · Crystal structure analysis of (GP27-GP5)3 conjugated with FE(III) protoporphyrin · NEN A607 · binds ASN6, CYS7, LYS89
  • 6XB1 · Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-cov-2 3CL… · NEN A401 · binds LYS100, TYR101, LYS102, CYS156

Residues it binds most

CYS 42, ASN 19, ASP 15, GLN 18, LYS 12, TYR 12, ALA 15, VAL 10, SER 11, ARG 8 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • CD · Cadmium ion
  • MG · Magnesium ion
  • DMS · Dimethyl sulfoxide
  • AMP · Adenosine monophosphate
  • F6P · 6-O-phosphono-beta-D-fructofuranose
  • PH2 · 2-amino-6-hydroxymethyl-7,8-dihydro-3H-pteridin-4-one
  • K · Potassium ion
  • CL · Chloride ion
  • PO4 · Phosphate ion
  • 1PE · Pentaethylene glycol
  • MPD · (4S)-2-methyl-2,4-pentanediol

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