MolNFT v1 · #13873 · protein
High resolution structure of fosfomycin resistance protein a (fosa)
1LQK · Probable fosfomycin resistance protein: “High resolution structure of fosfomycin resistance protein a (fosa)”. X-ray diffraction, 3 ligands (K, MN, PO4), 3 pockets (best druggability 0.56). MolNFT v1 #13873 on GenesisL1: 3D…
- PDB
- 1LQK
- Type
- protein
- Length
- 268 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable fosfomycin resistance protein
- EC
- 2.5.1.18
- UniProt
- Q9I4K6
- Ligands
- K, MN, PO4
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Probable fosfomycin resistance protein (EC 2.5.1.18) | protein | 134 | 26% helix, 38% strand | Q9I4K6 |
Ligands and binding sites
- K · Potassium ion · metal · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 156 | 0.56 | 0.81 | 21 | PO4 |
| 2 | 61 | 0.56 | 0.89 | 19 | empty |
| 3 | 155 | 0.54 | 0.81 | 22 | PO4 |
Interfaces
1 interface between chains.
- A–B · 2658 Ų buried · 51 hydrogen bonds · protein-protein
Compared structures
- 1LQK · High Resolution Structure of Fosfomycin Resistance Protein A (FosA) · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I4K6 · AlphaFold monomer V2.0 prediction for glutathione transferase fosa (Q9I4K6) · 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 Q9I4K6
- Elsewhere: RCSB PDB 1LQK · PDBe 1LQK · UniProt Q9I4K6
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