Research workbench
Structural basis of LSD1-corest selectivity in histone H3 recognition
Analyse Structural basis of LSD1-corest selectivity in histone H3 recognition in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2V1D
- Type
- protein
- Length
- 815 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysine-specific histone demethylase 1; Rest corepressor 1; Histone H3.1T
- EC
- 1.-.-.-
- UniProt
- O60341, Q9UKL0, Q16695
- Ligands
- FAD
- Pockets
- 9 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 47% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysine-specific histone demethylase 1 (EC 1.-.-.-) | protein | 666 | 45% helix, 15% strand | O60341 |
| B | Rest corepressor 1 | protein | 133 | 64% helix, 0% strand | Q9UKL0 |
| C | Histone H3.1T | protein | 16 | 19% helix, 0% strand | Q16695 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 326 | 0.85 | 0.95 | 55 | FAD |
| 2 | 371 | 0.63 | 0.78 | 35 | empty |
| 3 | 229 | 0.49 | 0.75 | 30 | empty |
| 4 | 93 | 0.45 | 0.79 | 19 | empty |
| 5 | 129 | 0.41 | 0.75 | 21 | empty |
Interfaces
2 interfaces between chains.
- A–B · 2752 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 1124 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 2V1D · Structural basis of LSD1-CoREST selectivity in histone H3 recognition · 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 0.98
- Q16695 · AlphaFold monomer V2.0 prediction for histone H3.1T (Q16695) · a predicted model of the same protein · chain C against A, TM-score 0.25
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
- Every structure of UniProt Q16695
- Elsewhere: RCSB PDB 2V1D · PDBe 2V1D · UniProt O60341 · UniProt Q9UKL0 · UniProt Q16695
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