MolNFT v1 · #86581 · protein
Phosphomimetic mutant of LSD1-8A splicing variant in complex with corest
4BAY · Lysine-specific histone demethylase 1A: “Phosphomimetic mutant of LSD1-8A splicing variant in complex with corest”. X-ray diffraction, 1 ligand (FAD), 10 pockets (best druggability 0.82). MolNFT v1 #86581 on GenesisL1: 3D structure…
- PDB
- 4BAY
- Type
- protein
- Length
- 803 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysine-specific histone demethylase 1A; Rest corepressor 1
- EC
- 1.-.-.-
- UniProt
- O60341, Q9UKL0
- Ligands
- FAD
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysine-specific histone demethylase 1A (EC 1.-.-.-) | protein | 670 | 44% helix, 17% strand | O60341 |
| B | Rest corepressor 1 | protein | 133 | 64% helix, 0% strand | Q9UKL0 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 967 | 0.82 | 0.84 | 90 | FAD |
| 2 | 348 | 0.63 | 0.79 | 31 | empty |
| 3 | 170 | 0.46 | 0.76 | 24 | empty |
| 4 | 148 | 0.42 | 0.75 | 21 | empty |
| 5 | 89 | 0.42 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2791 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 4BAY · Phosphomimetic mutant of LSD1-8a splicing variant in complex with CoREST · 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 4BAY · PDBe 4BAY · UniProt O60341 · UniProt Q9UKL0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.