MolNFT v1 · #104046 · protein
The crystal structure of a solute binding protein from bacillus anthracis str. ames in complex with quorum-sensing signal autoinducer-2 (ai-2)
4PZ0 · Sugar ABC transporter, sugar-binding protein: “The crystal structure of a solute binding protein from bacillus anthracis str. ames in complex with…”. X-ray diffraction, 2 ligands (PAV, CL), 1 pocket (best druggability 0.35). MolNFT…
- PDB
- 4PZ0
- Type
- protein
- Length
- 321 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sugar ABC transporter, sugar-binding protein
- UniProt
- Q81P43
- Ligands
- PAV, CL
- Pockets
- 1 · best druggability 0.35
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sugar ABC transporter, sugar-binding protein | protein | 321 | 42% helix, 21% strand | Q81P43 |
Ligands and binding sites
- PAV · (2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran · ligand · chains A
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 7 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 72 | 0.35 | 0.77 | 20 | empty |
Modifications
Observed in the structure: 7 modified (engineered).
Compared structures
- 4PZ0 · The crystal structure of a solute binding protein from Bacillus anthracis str. Ames in… · the same entry in another collection · 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 Q81P43
- Elsewhere: RCSB PDB 4PZ0 · PDBe 4PZ0 · UniProt Q81P43
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