MolNFT v1 · #188927 · protein
Thiol-disulfide oxidoreductase tsda from corynebacterium diphtheriae
7UNN · Thioredoxin domain-containing protein: “Thiol-disulfide oxidoreductase tsda from corynebacterium diphtheriae”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.43). MolNFT v1 #188927 on GenesisL1: 3D structure…
- PDB
- 7UNN
- Type
- protein
- Length
- 245 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin domain-containing protein
- UniProt
- A0A6J4WJ52
- Ligands
- CL
- Pockets
- 2 · best druggability 0.43
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin domain-containing protein | protein | 245 | 44% helix, 10% strand | A0A6J4WJ52 |
Ligands and binding sites
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 | 81 | 0.43 | 0.80 | 32 | EDO |
| 2 | 55 | 0.34 | 0.78 | 14 | empty |
Modifications
Observed in the structure: 2 modified (engineered).
Compared structures
- 7UNN · Thiol-disulfide oxidoreductase TsdA from Corynebacterium diphtheriae · 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 A0A6J4WJ52
- Elsewhere: RCSB PDB 7UNN · PDBe 7UNN · UniProt A0A6J4WJ52
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