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Crystal structure of disulfide oxidoreductase from mycobacterium tuberculosis
Analyse Crystal structure of disulfide oxidoreductase from mycobacterium tuberculosis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4K6X
- Type
- protein
- Length
- 398 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Disulfide oxidoreductase
- UniProt
- O33272
- Pockets
- 4 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Disulfide oxidoreductase | protein | 199 | 46% helix, 12% strand | O33272 |
Ligands and binding sites
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A, B
- DIO · 1,4-diethylene dioxide · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 146 | 0.52 | 0.80 | 27 | empty |
| 2 | 143 | 0.51 | 0.80 | 27 | empty |
| 3 | 97 | 0.37 | 0.75 | 20 | EPE |
| 4 | 107 | 0.34 | 0.73 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 697 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 4K6X · Crystal structure of disulfide oxidoreductase from Mycobacterium tuberculosis · 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 O33272
- Elsewhere: RCSB PDB 4K6X · PDBe 4K6X · UniProt O33272
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