Research workbench
Mannose-specific agglutinin (lectin) from garlic (allium sativum) bulbs complexed with alpha-D-mannose
Analyse Mannose-specific agglutinin (lectin) from garlic (allium sativum) bulbs… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1BWU
- Type
- protein
- Length
- 430 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (agglutinin)
- UniProt
- Q38789, Q38784
- Ligands
- MAN
- Pockets
- 1 · best druggability 0.56
Structure
x-ray diffraction · 4 distinct chains · 0% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (agglutinin) | protein | 106 | 0% helix, 48% strand | Q38789 |
| D | Protein (agglutinin) | protein | 109 | 0% helix, 47% strand | Q38784 |
| P | Protein (agglutinin) | protein | 106 | 0% helix, 48% strand | Q38789 |
| Q | Protein (agglutinin) | protein | 109 | 0% helix, 46% strand | Q38784 |
Ligands and binding sites
- MAN · alpha-D-mannopyranose · sugar · 14 copies · chains A, D, P, Q
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 274 | 0.56 | 0.77 | 30 | empty |
Interfaces
4 interfaces between chains.
- A–D · 1597 Ų buried · 25 hydrogen bonds · protein-protein
- P–Q · 1382 Ų buried · 27 hydrogen bonds · protein-protein
- D–P · 189 Ų buried · 1 hydrogen bond · protein-protein
- D–Q · 36 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1BWU · Mannose-specific agglutinin (lectin) from garlic (allium sativum) bulbs complexed with… · 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 Q38789
- Every structure of UniProt Q38784
- Elsewhere: RCSB PDB 1BWU · PDBe 1BWU · UniProt Q38789 · UniProt Q38784
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