MolNFT v1 · #121895 · protein
Structure of mouse acireductone dioxygenase with NI2+ ion and D-lactic acid in the active site
5I8T · 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase: “Structure of mouse acireductone dioxygenase with NI2+ ion and D-lactic acid in the active site”. X-ray diffraction, 2 ligands (LAC, NI), 1 pocket (best druggability 0.62).…
- PDB
- 5I8T
- Type
- protein
- Length
- 179 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
- Q99JT9
- Ligands
- LAC, NI
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase (EC 1.13.11.54) | protein | 179 | 22% helix, 34% strand | Q99JT9 |
Ligands and binding sites
- LAC · Lactic acid · ligand · chains A
- NI · Nickel (II) ion · metal · chains A
- IPA · Isopropyl alcohol · 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 | 144 | 0.62 | 0.85 | 20 | LAC, IPA |
Compared structures
- 5I8T · Structure of Mouse Acireductone dioxygenase with Ni2+ ion and D-lactic acid in the active… · the same entry in another collection · chain A against A, TM-score 1.00
- Q99JT9 · 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 0.98
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 Q99JT9
- Elsewhere: RCSB PDB 5I8T · PDBe 5I8T · UniProt Q99JT9
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