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LSD1/CO-rest structure with an inhibitor

Analyse LSD1/CO-rest structure with an inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6K3E
Type
protein
Length
794 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
O60341, Q9UKL0
Ligands
CW0, D3U, CVO, CL

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein661—O60341
B—protein133—Q9UKL0

Ligands and binding sites

  • CW0 · piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{R},2~{S})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate · ligand · chains A
  • D3U · 2-PCPA derivative · ligand · chains A
  • CVO · Piperidin-4-ylmethyl 4-(aminomethyl)-4-fluoranyl-piperidine-1-carboxylate · ligand · chains A
  • CL · Chloride ion · ion · 2 copies · chains A
  • EDO · 1,2-ethanediol · additive · 12 copies · chains A
  • GOL · Glycerol · additive · 4 copies · chains A
  • MLA · Malonic acid · additive · 3 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
  • ACT · Acetate ion · additive · 2 copies · chains A, B
  • DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 6K3E · LSD1/Co-Rest structure with an inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UKL0 · AlphaFold monomer V2.0 prediction for rest corepressor 1 (Q9UKL0) · a predicted model of the same protein · chain B against A, TM-score 0.96

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