Research workbench
Structural characterization of the tetrameric form of the major cat allergen fel D 1
Analyse Structural characterization of the tetrameric form of the major cat allergen… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2EJN
- Type
- protein
- Length
- 291 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major allergen I polypeptide chain 1, chain 2
- UniProt
- P30438, P30440
- Ligands
- CA
- Pockets
- 4 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Major allergen I polypeptide chain 1, chain 2 | protein | 146 | 74% helix, 0% strand | P30438, P30440 |
| B | Major allergen I polypeptide chain 1, chain 2 | protein | 145 | 78% helix, 0% strand | P30438, P30440 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 170 | 0.84 | 0.98 | 29 | empty |
| 2 | 94 | 0.38 | 0.76 | 21 | empty |
| 3 | 93 | 0.37 | 0.75 | 22 | empty |
| 4 | 50 | 0.34 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1288 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 2EJN · Structural characterization of the tetrameric form of the major cat allergen fel D 1 · the same entry in another collection · chain A against A, TM-score 1.00
- P30438 · AlphaFold monomer V2.0 prediction for major allergen I polypeptide chain 1 (P30438) · a predicted model of the same protein · chain B against A, TM-score 0.47
- P30440 · AlphaFold monomer V2.0 prediction for major allergen I polypeptide chain 2 (P30440) · a predicted model of the same protein · chain A against A, TM-score 0.46
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 P30438
- Every structure of UniProt P30440
- Elsewhere: RCSB PDB 2EJN · PDBe 2EJN · UniProt P30438 · UniProt P30440
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.