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Crystal structure of proenzyme asparaginyl endopeptidase (aep) /legumain mutant D233A at pH 7.5
Analyse Crystal structure of proenzyme asparaginyl endopeptidase (aep) /legumain mutant… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4NOL
- Type
- protein
- Length
- 770 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Legumain
- EC
- 3.4.22.34
- UniProt
- O89017
- Pockets
- 11 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Legumain (EC 3.4.22.34) | protein | 385 | 44% helix, 16% strand | O89017 |
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 67 | 0.59 | 0.90 | 24 | empty |
| 2 | 298 | 0.57 | 0.77 | 32 | empty |
| 3 | 84 | 0.53 | 0.85 | 19 | empty |
| 4 | 61 | 0.51 | 0.86 | 18 | empty |
| 5 | 63 | 0.42 | 0.81 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 404 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4NOL · Crystal structure of proenzyme asparaginyl endopeptidase (AEP)/Legumain mutant D233A at… · the same entry in another collection · chain A against A, TM-score 1.00
- O89017 · AlphaFold monomer V2.0 prediction for legumain (O89017) · 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 O89017
- Elsewhere: RCSB PDB 4NOL · PDBe 4NOL · UniProt O89017
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