GL1X · GenesisL1 explorer

MolNFT v1 · #190969 · protein

Human topoisomerase II beta ATPase ADP

7ZBG · DNA topoisomerase 2-beta: “Human topoisomerase II beta ATPase ADP”. X-ray diffraction, 4 ligands (ADP, ITH, MG), 4 pockets (best druggability 0.77). MolNFT v1 #190969 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7ZBG
Type
protein
Length
363 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA topoisomerase 2-beta
EC
5.6.2.2
UniProt
Q02880
Ligands
ADP, ITH, MG, SO4
Pockets
4 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA topoisomerase 2-beta (EC 5.6.2.2)protein36330% helix, 29% strandQ02880

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • ITH · 4-[(2S,3R)-3-[3,5-bis(oxidanylidene)piperazin-1-ium-1-yl]butan-2-yl]piperazin-4-ium-2,6-dione · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14230.770.8658ADP, SO4, MG
21750.580.8130empty
3760.540.8620empty
4650.340.7716empty

Compared structures

  • 7ZBG · Human Topoisomerase II Beta ATPase ADP · the same entry in another collection · chain A against A, TM-score 1.00
  • Q02880 · AlphaFold monomer V2.0 prediction for DNA topoisomerase 2-beta (Q02880) · a predicted model of the same protein · chain A against A, TM-score 0.98

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