MolNFT v1 · #49806 · protein
Crystal structure of mutation of an acylptide HYDROLASE/ESTERASE from aeropyrum pernix K1
2QZP · Acylamino-acid-releasing enzyme: “Crystal structure of mutation of an acylptide HYDROLASE/ESTERASE from aeropyrum pernix K1”. X-ray diffraction, 9 pockets (best druggability 0.80). MolNFT v1 #49806 on GenesisL1: 3D structure…
- PDB
- 2QZP
- Type
- protein
- Length
- 1,121 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acylamino-acid-releasing enzyme
- EC
- 3.4.19.1
- UniProt
- Q9YBQ2
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acylamino-acid-releasing enzyme (EC 3.4.19.1) | protein | 560 | 17% helix, 37% strand | Q9YBQ2 |
| B | Acylamino-acid-releasing enzyme (EC 3.4.19.1) | protein | 561 | 17% helix, 34% strand | Q9YBQ2 |
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1195 | 0.80 | 0.81 | 130 | empty |
| 2 | 1107 | 0.80 | 0.81 | 132 | empty |
| 3 | 405 | 0.67 | 0.79 | 58 | empty |
| 4 | 86 | 0.48 | 0.81 | 18 | empty |
| 5 | 239 | 0.47 | 0.73 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 1013 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2QZP · Crystal structure of mutation of an acylptide hydrolase/esterase from Aeropyrum pernix K1 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9YBQ2 · AlphaFold monomer V2.0 prediction for acylamino-acid-releasing enzyme (Q9YBQ2) · a predicted model of the same protein · chain B 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 Q9YBQ2
- Elsewhere: RCSB PDB 2QZP · PDBe 2QZP · UniProt Q9YBQ2
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