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Crystal structure of LSD2-npac

Analyse Crystal structure of LSD2-npac in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4GUT
Type
protein
Length
752 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lysine-specific histone demethylase 1B; Putative oxidoreductase GLYR1
EC
1.-.-.-
UniProt
Q8NB78, Q49A26
Ligands
FAD, ZN
Pockets
10 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALysine-specific histone demethylase 1B (EC 1.-.-.-)protein74037% helix, 15% strandQ8NB78
BPutative oxidoreductase GLYR1 (EC 1.-.-.-)protein1225% helix, 0% strandQ49A26

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • ZN · Zinc ion · metal · 3 copies · chains A
  • GOL · Glycerol · additive · 2 copies · chains A
  • PGE · Triethylene glycol · additive · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19130.800.82101FAD, GOL
2530.730.9918empty
31310.650.8733empty
4780.460.8216empty
51100.390.7621empty

Interfaces

1 interface between chains.

  • A–B · 929 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 4GUT · Crystal structure of LSD2-NPAC · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8NB78 · AlphaFold monomer V2.0 prediction for lysine-specific histone demethylase 1B (Q8NB78) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • Q49A26 · AlphaFold monomer V2.0 prediction for putative oxidoreductase GLYR1 (Q49A26) · a predicted model of the same protein · chain B against A, TM-score 0.37

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