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Human topoisomerase I (TOPO70) double mutant K532R/Y723F

Analyse Human topoisomerase I (TOPO70) double mutant K532R/Y723F in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1R49
Type
protein + DNA
Length
592 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*TP*AP*GP*AP*AP*AP*AP*AP*TP *TP*TP*TP*T)-3'…
EC
5.99.1.2
UniProt
P11387
Pockets
8 · best druggability 0.87

Structure

x-ray diffraction · 3 distinct chains · 45% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*TP*AP*GP*AP*AP*AP*AP*AP*TP *TP*TP*TP*T)-3'dna22——
C5'-D(P*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*TP*AP*AP*GP*TP*CP*T P*TP*TP*TP*T)-3'dna22——
ADNA topoisomerase I (EC 5.99.1.2)protein54845% helix, 11% strandP11387

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19710.870.8995empty
23930.730.8441empty
31650.660.8731empty
4830.520.8515empty
51410.520.8028empty

Interfaces

3 interfaces between chains.

  • C–A · 1162 Ų buried · 24 hydrogen bonds · protein-nucleic
  • B–A · 970 Ų buried · 22 hydrogen bonds · protein-nucleic
  • B–C · 963 Ų buried · 78 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1R49 · Human topoisomerase I (Topo70) double mutant K532R/Y723F · the same entry in another collection · chain B against B, TM-score 1.00
  • P11387 · AlphaFold monomer V2.0 prediction for DNA topoisomerase 1 (P11387) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

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