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MolNFT v1 · #3815 · protein

Structure of the DNA topoisomerase VI a subunit

1D3Y: “Structure of the DNA topoisomerase VI a subunit”. X-ray diffraction, 2 ligands (MG, NA), 5 pockets (best druggability 0.65). MolNFT v1 #3815 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1D3Y
Type
protein
Length
579 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA topoisomerase VI a subunit
EC
5.99.1.3
UniProt
Q57815
Ligands
MG, NA
Pockets
5 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 52% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA topoisomerase VI a subunit (EC 5.99.1.3)protein28951% helix, 17% strandQ57815
BDNA topoisomerase VI a subunit (EC 5.99.1.3)protein29052% helix, 17% strandQ57815

Ligands and binding sites

  • MG · Magnesium ion · metal · 3 copies · chains A, B
  • NA · Sodium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12860.650.8146empty
22410.600.8034empty
32840.520.7547MG
4520.340.7810empty
5510.230.7216empty

Interfaces

1 interface between chains.

  • A–B · 2148 Ų buried · 47 hydrogen bonds · protein-protein

Compared structures

  • 1D3Y · Structure of the DNA topoisomerase VI a subunit · the same entry in another collection · chain A against A, TM-score 1.00
  • Q57815 · AlphaFold monomer V2.0 prediction for type 2 DNA topoisomerase 6 subunit a (Q57815) · a predicted model of the same protein · chain A against A, TM-score 0.99

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