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Human topoisomerase iiib topo domain

Analyse Human topoisomerase iiib topo domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5GVC
Type
protein
Length
1,215 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA topoisomerase 3-beta-1
EC
5.99.1.2
UniProt
O95985
Ligands
MG
Pockets
10 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA topoisomerase 3-beta-1 (EC 5.99.1.2)protein61242% helix, 20% strandO95985
BDNA topoisomerase 3-beta-1 (EC 5.99.1.2)protein60342% helix, 21% strandO95985

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · 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, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18130.770.8192MG
27770.720.7872MG
31440.580.8324empty
4690.540.8720empty
51510.430.7529empty

Interfaces

1 interface between chains.

  • A–B · 692 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 5GVC · Human Topoisomerase IIIb topo domain · the same entry in another collection · chain A against A, TM-score 1.00
  • O95985 · AlphaFold monomer V2.0 prediction for DNA topoisomerase 3-beta-1 (O95985) · a predicted model of the same protein · chain A against A, TM-score 0.99

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