MolNFT v1 · #52338 · protein
Crystal structure of the major grass pollen allergen phl P 2 in complex with its specific IgE-Fab
2VXQ: “Crystal structure of the major grass pollen allergen phl P 2 in complex with its specific IgE-Fab”. X-ray diffraction, 7 pockets (best druggability 0.50). MolNFT v1 #52338 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2VXQ
- Type
- protein
- Length
- 518 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pollen allergen phl P 2; Fab
- UniProt
- P43214
- Pockets
- 7 · best druggability 0.50
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pollen allergen phl P 2 | protein | 92 | 3% helix, 53% strand | P43214 |
| H | Fab | protein | 213 | 8% helix, 54% strand | — |
| L | Fab | protein | 213 | 7% helix, 52% strand | — |
Pockets
7 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.50 | 0.86 | 21 | empty |
| 2 | 186 | 0.46 | 0.75 | 34 | empty |
| 3 | 223 | 0.45 | 0.72 | 33 | empty |
| 4 | 148 | 0.43 | 0.75 | 25 | empty |
| 5 | 50 | 0.37 | 0.80 | 16 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1685 Ų buried · 15 hydrogen bonds · protein-protein
- A–H · 580 Ų buried · 17 hydrogen bonds · protein-protein
- A–L · 386 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2VXQ · Crystal structure of the major grass pollen allergen Phl p 2 in complex with its specific… · the same entry in another collection · chain A against A, TM-score 1.00
- P43214 · AlphaFold monomer V2.0 prediction for pollen allergen phl P 2 (P43214) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P43214
- Elsewhere: RCSB PDB 2VXQ · PDBe 2VXQ · UniProt P43214
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