MolNFT v1 · #18614 · protein
Crystal structure of fel D 1- the major cat allergen
1PUO · Major allergen I polypeptide, fused chain 2, chain 1: “Crystal structure of fel D 1- the major cat allergen”. X-ray diffraction, 3 pockets (best druggability 0.78). MolNFT v1 #18614 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1PUO
- Type
- protein
- Length
- 283 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major allergen I polypeptide, fused chain 2, chain 1
- UniProt
- P30440, P30438
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Major allergen I polypeptide, fused chain 2, chain 1 | protein | 141 | 79% helix, 0% strand | P30440, P30438 |
| B | Major allergen I polypeptide, fused chain 2, chain 1 | protein | 142 | 81% helix, 0% strand | P30440, P30438 |
Ligands and binding sites
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 93 | 0.78 | 0.98 | 17 | MPD |
| 2 | 86 | 0.78 | 0.98 | 18 | MPD |
| 3 | 70 | 0.38 | 0.79 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 326 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1PUO · Crystal structure of Fel d 1- the major cat allergen · 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 A against A, TM-score 0.49
- P30440 · AlphaFold monomer V2.0 prediction for major allergen I polypeptide chain 2 (P30440) · a predicted model of the same protein · chain B against A, TM-score 0.47
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 P30440
- Every structure of UniProt P30438
- Elsewhere: RCSB PDB 1PUO · PDBe 1PUO · UniProt P30440 · UniProt P30438
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