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Crystal structure of the bacteriocin llpa from pseudomonas sp. in complex with glcnac BETA(1-2)MAN ALPHA(1-3)[GLCNAC BETA(1-2)MAN ALPHA(1-6)]MAN
Analyse Crystal structure of the bacteriocin llpa from pseudomonas sp. in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GC2
- Type
- protein
- Length
- 544 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putidacin L1
- UniProt
- Q8GEJ9
- Ligands
- MAN, NAG
- Pockets
- 3 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putidacin L1 | protein | 275 | 4% helix, 45% strand | Q8GEJ9 |
| B | Putidacin L1 | protein | 269 | 3% helix, 44% strand | Q8GEJ9 |
Ligands and binding sites
- MAN · alpha-D-mannopyranose · sugar · 3 copies · chains B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 108 | 0.58 | 0.86 | 26 | empty |
| 2 | 177 | 0.51 | 0.77 | 25 | empty |
| 3 | 77 | 0.30 | 0.73 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 450 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4GC2 · Crystal structure of the bacteriocin LLPA from pseudomonas sp. in complex with GlcNAc… · 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 Q8GEJ9
- Elsewhere: RCSB PDB 4GC2 · PDBe 4GC2 · UniProt Q8GEJ9
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