MolNFT v1 · #12042 · protein
Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase in complex with one manganese, and a glycerol
1K4O: “Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase in complex with one manganese, and a…”. X-ray diffraction, 2 ligands (MN, SO4), 1 pocket (best druggability 0.46). MolNFT v1 #12042 on GenesisL1: 3D structure…
- PDB
- 1K4O
- Type
- protein
- Length
- 216 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3,4-dihydroxy-2-butanone 4-phosphate synthase
- EC
- 5.4.99.-
- UniProt
- Q8TG90
- Ligands
- MN, SO4
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3,4-dihydroxy-2-butanone 4-phosphate synthase (EC 5.4.99.-) | protein | 216 | 37% helix, 24% strand | Q8TG90 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- GOL · Glycerol · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 57 | 0.46 | 0.84 | 18 | SO4, MN, GOL |
Compared structures
- 1K4O · Crystal Structure of 3,4-dihydroxy-2-buta 4-phosphate synthase in complex with one… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8TG90 · AlphaFold monomer V2.0 prediction for 3,4-dihydroxy-2-butanone 4-phosphate synthase… · 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 Q8TG90
- Elsewhere: RCSB PDB 1K4O · PDBe 1K4O · UniProt Q8TG90
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