MolNFT v1 · #64085 · protein
Crystal structure of pollen allergen phl P 3
3FT1 · Phl P 3 allergen: “Crystal structure of pollen allergen phl P 3”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.75). MolNFT v1 #64085 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3FT1
- Type
- protein
- Length
- 398 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phl P 3 allergen
- UniProt
- Q69B42
- Ligands
- CL
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phl P 3 allergen | protein | 100 | 0% helix, 52% strand | Q69B42 |
| C, D | Phl P 3 allergen | protein | 99 | 0% helix, 53% strand | Q69B42 |
Ligands and binding sites
- CL · Chloride ion · ion · 10 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1126 | 0.75 | 0.78 | 89 | empty |
| 2 | 114 | 0.42 | 0.77 | 19 | empty |
| 3 | 59 | 0.28 | 0.74 | 12 | empty |
Interfaces
5 interfaces between chains.
- B–C · 559 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 558 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 219 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 98 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 92 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3FT1 · Crystal structure of pollen allergen Phl p 3 · the same entry in another collection · chain A against A, TM-score 1.00
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 Q69B42
- Elsewhere: RCSB PDB 3FT1 · PDBe 3FT1 · UniProt Q69B42
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