MolNFT v1 · #96694 · protein
Crystal structure of dsba from mycobacterium tuberculosis (reduced)
4JR6 · Possible conserved membrane or secreted protein: “Crystal structure of dsba from mycobacterium tuberculosis (reduced)”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.42). MolNFT v1 #96694 on GenesisL1: 3D…
- PDB
- 4JR6
- Type
- protein
- Length
- 395 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Possible conserved membrane or secreted protein
- UniProt
- O33272
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.42
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Possible conserved membrane or secreted protein | protein | 198 | 48% helix, 12% strand | O33272 |
| B | Possible conserved membrane or secreted protein | protein | 197 | 48% helix, 12% strand | O33272 |
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
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 66 | 0.42 | 0.81 | 18 | empty |
| 2 | 76 | 0.40 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 494 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified, 2 disulfide (engineered, disulfide).
Compared structures
- 4JR6 · Crystal structure of DsbA from Mycobacterium tuberculosis (reduced) · 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 4JR6 · PDBe 4JR6 · UniProt O33272
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