MolNFT v1 · #29833 · protein
Crystal structure of the major cat allergen fel D 1 (1+2)
1ZKR · Major allergen I polypeptide, fused chain 1, chain 2: “Crystal structure of the major cat allergen fel D 1 (1+2)”. X-ray diffraction, 3 pockets (best druggability 0.82). MolNFT v1 #29833 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1ZKR
- Type
- protein
- Length
- 291 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major allergen I polypeptide, fused chain 1, chain 2
- UniProt
- P30438, P30440
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Major allergen I polypeptide, fused chain 1, chain 2 | protein | 146 | 74% helix, 0% strand | P30438, P30440 |
| B | Major allergen I polypeptide, fused chain 1, chain 2 | protein | 145 | 78% helix, 0% strand | P30438, P30440 |
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 | 156 | 0.82 | 0.97 | 28 | empty |
| 2 | 208 | 0.52 | 0.77 | 25 | empty |
| 3 | 85 | 0.31 | 0.73 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 480 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1ZKR · Crystal structure of the major cat allergen Fel d 1 (1+2) · 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 1ZKR · PDBe 1ZKR · UniProt P30438 · UniProt P30440
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