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Crystal structure of the ATPase and transducer domains of DNA topoisomerase II from balamuthia mandrillaris CDC:V039: BABOON/SAN DIEGO/1986

Analyse Crystal structure of the ATPase and transducer domains of DNA topoisomerase II… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7L6S
Type
protein
Length
396 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA topoisomerase II
EC
5.6.2.2
Ligands
ANP, MG
Pockets
3 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA topoisomerase II (EC 5.6.2.2)protein39634% helix, 27% strand—

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12620.760.8944ANP, MG
21630.480.7725empty
3940.450.8026EDO

Compared structures

  • 7L6S · Crystal structure of the ATPase and transducer domains of DNA topoisomerase II from… · the same entry in another collection · chain A against A, TM-score 1.00

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