Research workbench
Binding of inhibitors by acylaminoacyl peptidase
Analyse Binding of inhibitors by acylaminoacyl peptidase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2HU8
- Type
- protein
- Length
- 1,152 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
- Ligands
- BE2
- Pockets
- 12 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acylamino-acid-releasing enzyme (EC 3.4.19.1) | protein | 577 | 22% helix, 41% strand | Q9YBQ2 |
| B | Acylamino-acid-releasing enzyme (EC 3.4.19.1) | protein | 575 | 20% helix, 41% strand | Q9YBQ2 |
Ligands and binding sites
- BE2 · 2-aminobenzoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 984 | 0.80 | 0.81 | 99 | empty |
| 2 | 538 | 0.74 | 0.82 | 62 | empty |
| 3 | 212 | 0.73 | 0.89 | 35 | empty |
| 4 | 531 | 0.70 | 0.80 | 57 | BE2 |
| 5 | 206 | 0.51 | 0.76 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 1261 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
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 2HU8 · PDBe 2HU8 · UniProt Q9YBQ2
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