MolNFT v1 · #41140 · protein
JEL42 FAB/HPR complex
2JEL · JEL42 Fab fragment: “JEL42 FAB/HPR complex”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.42). MolNFT v1 #41140 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2JEL
- Type
- protein
- Length
- 520 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- JEL42 Fab fragment; Histidine-containing protein
- UniProt
- P0AA04
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.42
Structure
x-ray diffraction · 3 distinct chains · 11% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | JEL42 Fab fragment | protein | 217 | 6% helix, 55% strand | — |
| H | JEL42 Fab fragment | protein | 218 | 7% helix, 54% strand | — |
| P | Histidine-containing protein | protein | 85 | 34% helix, 27% strand | P0AA04 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains L, P
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 150 | 0.42 | 0.74 | 24 | empty |
| 2 | 121 | 0.38 | 0.74 | 18 | empty |
| 3 | 69 | 0.34 | 0.76 | 19 | SO4 |
| 4 | 52 | 0.28 | 0.75 | 15 | empty |
| 5 | 65 | 0.27 | 0.73 | 17 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1740 Ų buried · 15 hydrogen bonds · protein-protein
- H–P · 584 Ų buried · 8 hydrogen bonds · protein-protein
- L–P · 298 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
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 P0AA04
- Elsewhere: RCSB PDB 2JEL · PDBe 2JEL · UniProt P0AA04
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.