MolNFT v1 · #11022 · protein
A novel mode of carbohydrate recognition in jacalin, a moraceae plant lectin with a beta-prism
1JAC: “A novel mode of carbohydrate recognition in jacalin, a moraceae plant lectin with a beta-prism”. X-ray diffraction, 1 ligand (AMG), 6 pockets (best druggability 0.72). MolNFT v1 #11022 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1JAC
- Type
- protein
- Length
- 592 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Jacalin
- UniProt
- P18670, P18671
- Ligands
- AMG
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 63% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | Jacalin | protein | 133 | 0% helix, 65% strand | P18670 |
| B, D, F, H | Jacalin | protein | 15 | 0% helix, 47% strand | P18671 |
Ligands and binding sites
- AMG · methyl alpha-D-galactopyranoside · ligand · 4 copies · chains A, G, C, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 838 | 0.72 | 0.77 | 87 | empty |
| 2 | 140 | 0.45 | 0.76 | 19 | empty |
| 3 | 127 | 0.45 | 0.77 | 17 | empty |
| 4 | 82 | 0.32 | 0.73 | 20 | empty |
| 5 | 56 | 0.31 | 0.75 | 13 | AMG |
Interfaces
15 interfaces between chains.
- E–F · 547 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 544 Ų buried · 10 hydrogen bonds · protein-protein
- G–H · 543 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 535 Ų buried · 9 hydrogen bonds · protein-protein
- F–G · 419 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 1JAC · A novel mode of carbohydrate recognition in jacalin, a moraceae plant lectin with a… · the same entry in another collection · chain H against H, TM-score 1.00
- P18670 · AlphaFold monomer V2.0 prediction for agglutinin alpha chain (P18670) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P18671 · AlphaFold monomer V2.0 prediction for agglutinin beta-1 chain (P18671) · a predicted model of the same protein · chain B against A, TM-score 0.25
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 P18670
- Every structure of UniProt P18671
- Elsewhere: RCSB PDB 1JAC · PDBe 1JAC · UniProt P18670 · UniProt P18671
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.