MolNFT v1 · #136114 · protein
Crystal structure of mycobacterium tuberculosis topoisomerase I at 2.15A resolution limit
5UJ1 · DNA topoisomerase 1: “Crystal structure of mycobacterium tuberculosis topoisomerase I at 2.15A resolution limit”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.69). MolNFT v1 #136114 on GenesisL1: 3D structure…
- PDB
- 5UJ1
- Type
- protein
- Length
- 687 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA topoisomerase 1
- EC
- 5.99.1.2
- UniProt
- A0A0E8VY41
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA topoisomerase 1 (EC 5.99.1.2) | protein | 687 | 40% helix, 22% strand | A0A0E8VY41 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 581 | 0.69 | 0.79 | 61 | SO4 |
| 2 | 52 | 0.37 | 0.81 | 16 | empty |
| 3 | 77 | 0.33 | 0.75 | 15 | empty |
| 4 | 60 | 0.26 | 0.73 | 18 | empty |
Compared structures
- 5UJ1 · Crystal structure of Mycobacterium tuberculosis Topoisomerase I at 2.15A resolution limit · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A0A0E8VY41
- Elsewhere: RCSB PDB 5UJ1 · PDBe 5UJ1 · UniProt A0A0E8VY41
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