MolNFT v1 · #125699 · protein
THIENO[3,2-B]PYRROLE-5-carboxamides as novel reversible inhibitors of histone lysine demethylase KDM1A/LSD1: compound 15
5LGT: “THIENO[3,2-B]PYRROLE-5-carboxamides as novel reversible inhibitors of histone lysine demethylase KDM1A/LSD1…”. X-ray diffraction, 2 ligands (FAD, 6W3). MolNFT v1 #125699 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5LGT
- Type
- protein
- Length
- 799 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- O60341, Q9UKL0
- Ligands
- FAD, 6W3
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 666 | — | O60341 |
| B | — | protein | 133 | — | Q9UKL0 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- 6W3 · 4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl) oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5LGT · Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine… · 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 0.94
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O60341
- Every structure of UniProt Q9UKL0
- Elsewhere: RCSB PDB 5LGT · PDBe 5LGT · UniProt O60341 · UniProt Q9UKL0
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