MolNFT v1 · #92107 · protein
Structure of the pyrococcus horikoshii CoA PERSULFIDE/POLYSULFIDE reductase
4FX9 · Coenzyme a disulfide reductase: “Structure of the pyrococcus horikoshii CoA PERSULFIDE/POLYSULFIDE reductase”. X-ray diffraction, 2 ligands (FAD, COA), 5 pockets (best druggability 0.84). MolNFT v1 #92107 on GenesisL1: 3D structure…
- PDB
- 4FX9
- Type
- protein
- Length
- 885 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coenzyme a disulfide reductase
- EC
- 1.8.1.14
- UniProt
- O58308
- Ligands
- FAD, COA
- Pockets
- 5 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coenzyme a disulfide reductase (EC 1.8.1.14) | protein | 442 | 28% helix, 29% strand | O58308 |
| B | Coenzyme a disulfide reductase (EC 1.8.1.14) | protein | 443 | 27% helix, 30% strand | O58308 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- COA · Coenzyme A · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1151 | 0.84 | 0.84 | 118 | FAD, COA |
| 2 | 1042 | 0.83 | 0.84 | 117 | FAD, COA |
| 3 | 192 | 0.52 | 0.77 | 28 | empty |
| 4 | 83 | 0.50 | 0.83 | 13 | empty |
| 5 | 80 | 0.47 | 0.82 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 2864 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 4FX9 · Structure of the Pyrococcus horikoshii CoA persulfide/polysulfide reductase · the same entry in another collection · chain A against A, TM-score 1.00
- O58308 · AlphaFold monomer V2.0 prediction for NAD(P)H coenzyme a POLYSULFIDE/PERSULFIDE reductase… · a predicted model of the same protein · chain B against A, TM-score 0.99
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 O58308
- Elsewhere: RCSB PDB 4FX9 · PDBe 4FX9 · UniProt O58308
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.