MolNFT v1 · #5323 · protein
Heat-labile enterotoxin B-pentamer complexed with bound ligand pepg
1EEF · Protein (heat-labile enterotoxin B chain): “Heat-labile enterotoxin B-pentamer complexed with bound ligand pepg”. X-ray diffraction, 2 ligands (I06, GLA), 11 pockets (best druggability 0.75). MolNFT v1 #5323 on GenesisL1: 3D…
- PDB
- 1EEF
- Type
- protein
- Length
- 1,030 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (heat-labile enterotoxin B chain)
- UniProt
- P32890
- Ligands
- I06, GLA
- Pockets
- 11 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, E, F, G, H, L, M, N, O, P | Protein (heat-labile enterotoxin B chain) | protein | 103 | 21% helix, 37% strand | P32890 |
Ligands and binding sites
- I06 · 2-phenethyl-2,3-dihydro-phthalazine-1,4-dione · ligand · 4 copies · chains G, H, D, O, P, L
- GLA · alpha-D-galactopyranose · sugar · 10 copies · chains D, E, F, G, H, L, M, N, O, P
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 980 | 0.75 | 0.77 | 44 | empty |
| 2 | 1118 | 0.74 | 0.77 | 45 | empty |
| 3 | 290 | 0.61 | 0.79 | 29 | GLA |
| 4 | 373 | 0.57 | 0.75 | 36 | empty |
| 5 | 68 | 0.41 | 0.80 | 21 | empty |
Interfaces
11 interfaces between chains.
- L–P · 1401 Ų buried · 27 hydrogen bonds · protein-protein
- L–M · 1382 Ų buried · 30 hydrogen bonds · protein-protein
- D–E · 1378 Ų buried · 27 hydrogen bonds · protein-protein
- N–O · 1375 Ų buried · 25 hydrogen bonds · protein-protein
- D–H · 1372 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 1EEF · Heat-labile enterotoxin B-pentamer complexed with bound ligand pepg · the same entry in another collection · chain P against P, TM-score 1.00
- P32890 · AlphaFold monomer V2.0 prediction for heat-labile enterotoxin B chain (P32890) · a predicted model of the same protein · chain G against A, TM-score 0.99
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 P32890
- Elsewhere: RCSB PDB 1EEF · PDBe 1EEF · UniProt P32890
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.