MolNFT v1 · #105507 · protein
Crystal structure of solute-binding protein STM0429 from salmonella enterica subsp. enterica serovar typhimurium str. LT2, target efi- 510776, a closed conformation, in complex with glycerol and acetate
4R6Y · Putative 2-aminoethylphosphonate-binding periplasmic protein: “Crystal structure of solute-binding protein STM0429 from salmonella enterica subsp. enterica serovar…”. X-ray diffraction, 2 pockets (best druggability 0.62). MolNFT v1…
- PDB
- 4R6Y
- Type
- protein
- Length
- 317 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative 2-aminoethylphosphonate-binding periplasmic protein
- UniProt
- P96062
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative 2-aminoethylphosphonate-binding periplasmic protein | protein | 317 | 41% helix, 20% strand | P96062 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 312 | 0.62 | 0.79 | 46 | GOL, ACT |
| 2 | 130 | 0.50 | 0.79 | 23 | empty |
Compared structures
- 4R6Y · Crystal structure of solute-binding protein stm0429 from salmonella enterica subsp.… · the same entry in another collection · chain A against A, TM-score 1.00
- P96062 · AlphaFold monomer V2.0 prediction for putative 2-aminoethylphosphonate-binding… · a predicted model of the same protein · chain A against A, TM-score 1.00
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 P96062
- Elsewhere: RCSB PDB 4R6Y · PDBe 4R6Y · UniProt P96062
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