MolNFT v1 · #104636 · protein
Human acireductone dioxygenase with iron ion and L-methionine in active center
4QGN · 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase: “Human acireductone dioxygenase with iron ion and L-methionine in active center”. X-ray diffraction, 4 ligands (MSE, FE, SO4), 1 pocket (best druggability 0.61). MolNFT v1…
- PDB
- 4QGN
- Type
- protein
- Length
- 178 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase
- EC
- 1.13.11.54
- UniProt
- Q9BV57
- Ligands
- MSE, FE, SO4, CL
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase (EC 1.13.11.54) | protein | 178 | 21% helix, 31% strand | Q9BV57 |
Ligands and binding sites
- MSE · Selenomethionine · ligand · chains A
- FE · Fe (III) ion · metal · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 148 | 0.61 | 0.84 | 28 | CL, MSE, ACT |
Compared structures
- 4QGN · Human acireductone dioxygenase with iron ion and L-methionine in active center · the same entry in another collection · chain A against A, TM-score 1.00
- Q9BV57 · AlphaFold monomer V2.0 prediction for 1,2-dihydroxy-3-keto-5-methylthiopentene… · a predicted model of the same protein · chain A 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 Q9BV57
- Elsewhere: RCSB PDB 4QGN · PDBe 4QGN · UniProt Q9BV57
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