MolNFT v1 · #70888 · protein
Crystal structure of 4-hydroxythreonine-4-phosphate dehydrogenase from yersinia pestis CO92
3LXY: “Crystal structure of 4-hydroxythreonine-4-phosphate dehydrogenase from yersinia pestis CO92”. X-ray diffraction, 4 ligands (GLC, FRU, NI), 1 pocket (best druggability 0.57). MolNFT v1 #70888 on GenesisL1: 3D structure, binding sites…
- PDB
- 3LXY
- Type
- protein
- Length
- 329 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-hydroxythreonine-4-phosphate dehydrogenase
- EC
- 1.1.1.262
- UniProt
- P58719
- Ligands
- GLC, FRU, NI, SO4
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 4-hydroxythreonine-4-phosphate dehydrogenase (EC 1.1.1.262) | protein | 329 | 42% helix, 17% strand | P58719 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · chains A
- FRU · beta-D-fructofuranose · sugar · chains A
- NI · Nickel (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · 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 | 306 | 0.57 | 0.77 | 35 | NI, SO4 |
Compared structures
- 3LXY · Crystal structure of 4-hydroxythreonine-4-phosphate dehydrogenase from Yersinia pestis… · the same entry in another collection · chain A against A, TM-score 1.00
- P58719 · AlphaFold monomer V2.0 prediction for 4-hydroxythreonine-4-phosphate dehydrogenase… · 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 P58719
- Elsewhere: RCSB PDB 3LXY · PDBe 3LXY · UniProt P58719
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