Research workbench
Structure of the NADPH-dependent thioredoxin reductase from methanosarcina mazei
Analyse Structure of the NADPH-dependent thioredoxin reductase from methanosarcina mazei in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZN0
- Type
- protein
- Length
- 1,115 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin reductase
- EC
- 1.8.1.9
- UniProt
- Q8PUI1
- Pockets
- 11 · best druggability 0.84
Structure
x-ray diffraction · 4 distinct chains · 22% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin reductase (EC 1.8.1.9) | protein | 287 | 24% helix, 32% strand | Q8PUI1 |
| B | Thioredoxin reductase (EC 1.8.1.9) | protein | 279 | 23% helix, 34% strand | Q8PUI1 |
| C | Thioredoxin reductase (EC 1.8.1.9) | protein | 279 | 22% helix, 34% strand | Q8PUI1 |
| D | Thioredoxin reductase (EC 1.8.1.9) | protein | 270 | 21% helix, 32% strand | Q8PUI1 |
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 785 | 0.84 | 0.87 | 95 | empty |
| 2 | 94 | 0.75 | 0.96 | 23 | empty |
| 3 | 649 | 0.73 | 0.80 | 66 | empty |
| 4 | 78 | 0.58 | 0.88 | 24 | empty |
| 5 | 169 | 0.49 | 0.77 | 22 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1882 Ų buried · 22 hydrogen bonds · protein-protein
- A–C · 1770 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 1319 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 201 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 124 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4ZN0 · Structure of the NADPH-dependent thioredoxin reductase from Methanosarcina mazei · 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 Q8PUI1
- Elsewhere: RCSB PDB 4ZN0 · PDBe 4ZN0 · UniProt Q8PUI1
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