MolNFT v1 · #20636 · protein
Crystal structure of thrh gene product of pseudomonas aeruginosa
1RKU · Homoserine kinase: “Crystal structure of thrh gene product of pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (MG), 4 pockets (best druggability 0.62). MolNFT v1 #20636 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1RKU
- Type
- protein
- Length
- 412 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Homoserine kinase
- UniProt
- Q9I2Y2
- Ligands
- MG
- Pockets
- 4 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Homoserine kinase | protein | 206 | 43% helix, 21% strand | Q9I2Y2 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 240 | 0.62 | 0.81 | 37 | empty |
| 2 | 342 | 0.60 | 0.77 | 35 | MG, EDO |
| 3 | 210 | 0.60 | 0.81 | 29 | EDO |
| 4 | 138 | 0.42 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1413 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 1RKU · Crystal Structure of ThrH gene product of Pseudomonas Aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I2Y2 · AlphaFold monomer V2.0 prediction for phosphoserine phosphatase thrh (Q9I2Y2) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9I2Y2
- Elsewhere: RCSB PDB 1RKU · PDBe 1RKU · UniProt Q9I2Y2
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