MolNFT v1 · #136467 · protein
Crystal structure of thioredoxin-disulfide reductase from vibrio vulnificus CMCP6 - apo form
5UTX · Thioredoxin reductase: “Crystal structure of thioredoxin-disulfide reductase from vibrio vulnificus CMCP6 - apo form”. X-ray diffraction, 1 ligand (PO4), 6 pockets (best druggability 0.82). MolNFT v1 #136467 on GenesisL1: 3D…
- PDB
- 5UTX
- Type
- protein
- Length
- 580 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin reductase
- EC
- 1.8.1.9
- UniProt
- Q7MLH2
- Ligands
- PO4
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin reductase (EC 1.8.1.9) | protein | 303 | 30% helix, 29% strand | Q7MLH2 |
| B | Thioredoxin reductase (EC 1.8.1.9) | protein | 277 | 26% helix, 33% strand | Q7MLH2 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 182 | 0.82 | 0.97 | 38 | empty |
| 2 | 840 | 0.73 | 0.78 | 85 | PO4 |
| 3 | 476 | 0.59 | 0.74 | 39 | empty |
| 4 | 74 | 0.40 | 0.79 | 15 | empty |
| 5 | 60 | 0.33 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1866 Ų buried · 39 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5UTX · Crystal structure of thioredoxin-disulfide reductase from Vibrio vulnificus CMCP6 - apo… · 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 Q7MLH2
- Elsewhere: RCSB PDB 5UTX · PDBe 5UTX · UniProt Q7MLH2
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