Research workbench
Crystal structure of Mtb DsbA (Oxidized)
Analyse Crystal structure of Mtb DsbA (Oxidized) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JR4
- Type
- protein
- Length
- 393 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.498
- Source
- Mycobacterium tuberculosis
- Molecule
- Possible conserved membrane or secreted protein
- UniProt
- O33272
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.50
Structure
x-ray diffraction · resolution 2.498 · 2 distinct chains · 47% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Possible conserved membrane or secreted protein | protein | 197 | 46% helix, 12% strand | O33272 |
| B | Possible conserved membrane or secreted protein | protein | 196 | 47% helix, 13% strand | O33272 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.50 | 0.87 | 19 | empty |
| 2 | 67 | 0.41 | 0.80 | 18 | empty |
| 3 | 63 | 0.41 | 0.80 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 493 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4JR4 · Crystal structure of mtb dsba (oxidized) · 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 4JR4 · PDBe 4JR4 · UniProt O33272
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