Research workbench
Structure of phosphate complex of thrh from pseudomonas aeruginosa
Analyse Structure of phosphate complex of thrh from pseudomonas aeruginosa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1RKV
- 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, PO4
- Pockets
- 5 · 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
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 232 | 0.62 | 0.82 | 31 | EDO |
| 2 | 243 | 0.58 | 0.79 | 31 | PO4, MG |
| 3 | 262 | 0.56 | 0.77 | 29 | PO4, MG |
| 4 | 160 | 0.53 | 0.79 | 24 | empty |
| 5 | 50 | 0.35 | 0.79 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1301 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 1RKV · Structure of Phosphate complex of ThrH from 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 1RKV · PDBe 1RKV · UniProt Q9I2Y2
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