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Crystal structure of the 65-kilodalton amino-terminal fragment of DNA topoisomerase I from streptococcus mutans

Analyse Crystal structure of the 65-kilodalton amino-terminal fragment of DNA… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6OZW
Type
protein
Length
538 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA topoisomerase 1
EC
5.6.2.2
UniProt
Q8DUD3
Ligands
MG
Pockets
1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA topoisomerase 1 (EC 5.6.2.2)protein53846% helix, 22% strandQ8DUD3

Ligands and binding sites

  • MG · Magnesium ion · metal · 6 copies · chains A
  • FMT · Formic acid · additive · 14 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17490.700.7768MG, FMT

Compared structures

  • 6OZW · Crystal structure of the 65-kilodalton amino-terminal fragment of DNA topoisomerase I… · the same entry in another collection · chain A against A, TM-score 1.00

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