MolNFT v1 · #150225 · protein
Crystal structure of a ferredoxin-flavin thioredoxin reductase from clostridium acetobutylicum at 1.9 a resolution
6GNB: “Crystal structure of a ferredoxin-flavin thioredoxin reductase from clostridium acetobutylicum at 1.9 a…”. X-ray diffraction, 1 ligand (FAD), 3 pockets (best druggability 0.75). MolNFT v1 #150225 on GenesisL1: 3D structure, binding…
- PDB
- 6GNB
- Type
- protein
- Length
- 284 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin reductase
- UniProt
- Q97EM8
- Ligands
- FAD
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin reductase | protein | 284 | 26% helix, 30% strand | Q97EM8 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
- PGE · Triethylene glycol · additive · 2 copies · chains A
- ACT · Acetate ion · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 533 | 0.75 | 0.82 | 58 | FAD, PGE |
| 2 | 54 | 0.38 | 0.80 | 13 | empty |
| 3 | 57 | 0.32 | 0.76 | 12 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6GNB · Crystal structure of a Ferredoxin-Flavin Thioredoxin Reductase from Clostridium… · 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 Q97EM8
- Elsewhere: RCSB PDB 6GNB · PDBe 6GNB · UniProt Q97EM8
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