MolNFT v1 · #65114 · protein
The crystal structure of a thioredoxin-related protein from desulfitobacterium hafniense dcb
3GNJ · Thioredoxin domain protein: “The crystal structure of a thioredoxin-related protein from desulfitobacterium hafniense dcb”. X-ray diffraction, 3 pockets (best druggability 0.74). MolNFT v1 #65114 on GenesisL1: 3D structure, binding…
- PDB
- 3GNJ
- Type
- protein
- Length
- 440 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin domain protein
- UniProt
- B8G0E7
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 40% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Thioredoxin domain protein | protein | 111 | 41% helix, 24% strand | B8G0E7 |
| B | Thioredoxin domain protein | protein | 108 | 39% helix, 27% strand | B8G0E7 |
| D | Thioredoxin domain protein | protein | 110 | 39% helix, 25% strand | B8G0E7 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 976 | 0.74 | 0.77 | 68 | empty |
| 2 | 184 | 0.51 | 0.78 | 22 | empty |
| 3 | 58 | 0.27 | 0.73 | 13 | empty |
Interfaces
5 interfaces between chains.
- C–D · 658 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 620 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 216 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 118 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 57 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3GNJ · The crystal structure of a thioredoxin-related protein from Desulfitobacterium hafniense… · 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 B8G0E7
- Elsewhere: RCSB PDB 3GNJ · PDBe 3GNJ · UniProt B8G0E7
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