MolNFT v1 · #66585 · protein
Structure of putative homoserine kinase thrb from listeria monocytogenes
3HUL: “Structure of putative homoserine kinase thrb from listeria monocytogenes”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.44). MolNFT v1 #66585 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3HUL
- Type
- protein
- Length
- 546 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Homoserine kinase
- EC
- 2.7.1.39
- UniProt
- Q8Y4A6
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Homoserine kinase (EC 2.7.1.39) | protein | 277 | 34% helix, 29% strand | Q8Y4A6 |
| B | Homoserine kinase (EC 2.7.1.39) | protein | 269 | 36% helix, 29% strand | Q8Y4A6 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 71 | 0.44 | 0.81 | 16 | empty |
| 2 | 97 | 0.42 | 0.78 | 18 | empty |
| 3 | 102 | 0.41 | 0.77 | 16 | empty |
| 4 | 110 | 0.38 | 0.75 | 23 | SO4 |
| 5 | 58 | 0.35 | 0.78 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1739 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 3HUL · Structure of putative homoserine kinase thrB from Listeria monocytogenes · the same entry in another collection · chain A against A, TM-score 1.00
- Q8Y4A6 · AlphaFold monomer V2.0 prediction for homoserine kinase (Q8Y4A6) · a predicted model of the same protein · chain B 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 Q8Y4A6
- Elsewhere: RCSB PDB 3HUL · PDBe 3HUL · UniProt Q8Y4A6
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