MolNFT v1 · #83630 · protein
Crystal structure plant lectin in complex with ligand
3WOG · Erythroagglutinin: “Crystal structure plant lectin in complex with ligand”. X-ray diffraction, 4 ligands (NAG, MAN, MN), 1 pocket (best druggability 0.75). MolNFT v1 #83630 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3WOG
- Type
- protein
- Length
- 481 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Erythroagglutinin
- UniProt
- V5YN37
- Ligands
- NAG, MAN, MN, CA
- Pockets
- 1 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Erythroagglutinin | protein | 238 | 4% helix, 46% strand | V5YN37 |
| B | Erythroagglutinin | protein | 243 | 6% helix, 47% strand | V5YN37 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
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 | 526 | 0.75 | 0.83 | 64 | empty |
Interfaces
1 interface between chains.
- A–B · 1011 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 glycan (N-glycosylation).
Compared structures
- 3WOG · Crystal structure plant lectin in complex with ligand · 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 V5YN37
- Elsewhere: RCSB PDB 3WOG · PDBe 3WOG · UniProt V5YN37
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