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LSD1-corest in complex with prsfaa peptide

Analyse LSD1-corest in complex with prsfaa peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3ZN0
Type
protein
Length
805 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lysine-specific histone demethylase 1A; Rest corepressor 1; Peptide
EC
1.-.-.-
UniProt
O60341, Q9UKL0
Ligands
FAD
Pockets
10 · best druggability 0.85

Structure

x-ray diffraction · 3 distinct chains · 47% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALysine-specific histone demethylase 1A (EC 1.-.-.-)protein66643% helix, 16% strandO60341
BRest corepressor 1protein13363% helix, 0% strandQ9UKL0
CPeptideprotein650% helix, 0% strand—

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

10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13190.850.9555FAD
23470.610.7836empty
31990.480.7524empty
4990.470.8019empty
5850.410.7822empty

Interfaces

2 interfaces between chains.

  • A–B · 2776 Ų buried · 19 hydrogen bonds · protein-protein
  • A–C · 600 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 3ZN0 · LSD1-CoREST in complex with PRSFAA peptide · 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 0.97

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