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MolNFT v1 · #101916 · protein

Zinc fingers of KDM2B

4O64 · Lysine-specific demethylase 2B: “Zinc fingers of KDM2B”. X-ray diffraction, 2 ligands (ZN, UNX), 1 pocket (best druggability 0.28). MolNFT v1 #101916 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4O64
Type
protein
Length
347 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lysine-specific demethylase 2B
UniProt
Q8NHM5
Ligands
ZN, UNX
Pockets
1 · best druggability 0.28

Structure

x-ray diffraction · 2 distinct chains · 22% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CLysine-specific demethylase 2Bprotein11623% helix, 10% strandQ8NHM5
BLysine-specific demethylase 2Bprotein11521% helix, 10% strandQ8NHM5

Ligands and binding sites

  • ZN · Zinc ion · metal · 12 copies · chains A, B, C
  • UNX · Unknown atom or ion · ion · 14 copies · chains A, B, C

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1650.280.7319empty

Interfaces

3 interfaces between chains.

  • A–C · 243 Ų buried · 1 hydrogen bond · protein-protein
  • B–C · 114 Ų buried · 0 hydrogen bonds · protein-protein
  • A–B · 87 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 4O64 · Zinc fingers of KDM2B · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8NHM5 · AlphaFold monomer V2.0 prediction for lysine-specific demethylase 2B (Q8NHM5) · a predicted model of the same protein · chain A against A, TM-score 0.93

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