Research workbench
Structure of the lecb lectin from pseudomonas aeruginosa strain PA14 in complex with lewis X tetrasaccharide
Analyse Structure of the lecb lectin from pseudomonas aeruginosa strain PA14 in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5A70
- Type
- protein
- Length
- 456 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lecb
- UniProt
- U8MRX2
- Ligands
- GAL, NAG, FUC, CA, SO4
- Pockets
- 2 · best druggability 0.38
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 71% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Lecb | protein | 114 | 0% helix, 71% strand | U8MRX2 |
Ligands and binding sites
- GAL · beta-D-galactopyranose · sugar · 8 copies · chains A, B, C, D
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B, C, D
- FUC · alpha-L-fucopyranose · sugar · 4 copies · chains A, B, C, D
- CA · Calcium ion · metal · 8 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 125 | 0.38 | 0.74 | 20 | empty |
| 2 | 84 | 0.31 | 0.73 | 18 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1323 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1313 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 473 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 464 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 218 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5A70 · Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex 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 U8MRX2
- Elsewhere: RCSB PDB 5A70 · PDBe 5A70 · UniProt U8MRX2
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