MolNFT v1 · #111874 · protein
Crystal structure of birch pollen allergen bet V 1 mutant G26L, D69I, P90L, K97I
4Z3L · Major pollen allergen bet V 1-a: “Crystal structure of birch pollen allergen bet V 1 mutant G26L, D69I, P90L, K97I”. X-ray diffraction, 1 ligand (SO4), 13 pockets (best druggability 0.87). MolNFT v1 #111874 on GenesisL1: 3D…
- PDB
- 4Z3L
- Type
- protein
- Length
- 954 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major pollen allergen bet V 1-a
- UniProt
- P15494
- Ligands
- SO4
- Pockets
- 13 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, E, F, D | Major pollen allergen bet V 1-a | protein | 159 | 26% helix, 40% strand | P15494 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 14 copies · chains A, B, E, C, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1192 | 0.87 | 0.87 | 96 | SO4 |
| 2 | 547 | 0.84 | 0.89 | 45 | empty |
| 3 | 529 | 0.82 | 0.88 | 53 | empty |
| 4 | 481 | 0.82 | 0.88 | 45 | SO4 |
| 5 | 470 | 0.82 | 0.88 | 42 | empty |
Interfaces
6 interfaces between chains.
- B–C · 678 Ų buried · 18 hydrogen bonds · protein-protein
- E–F · 667 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 635 Ų buried · 5 hydrogen bonds · protein-protein
- B–E · 444 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 366 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4Z3L · Crystal structure of birch pollen allergen bet V 1 mutant G26L, D69I, P90L, K97I · the same entry in another collection · chain D against D, TM-score 1.00
- P15494 · AlphaFold monomer V2.0 prediction for major pollen allergen bet V 1-a (P15494) · a predicted model of the same protein · chain C against A, TM-score 0.98
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 P15494
- Elsewhere: RCSB PDB 4Z3L · PDBe 4Z3L · UniProt P15494
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