Research workbench
Prolyl tripeptidyl aminopeptidase complexed with an inhibitor
Analyse Prolyl tripeptidyl aminopeptidase complexed with an inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2EEP
- Type
- protein
- Length
- 659 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dipeptidyl aminopeptidase IV, putative
- EC
- 3.4.14.-
- UniProt
- Q7MUW6
- Ligands
- AIO, SO4
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dipeptidyl aminopeptidase IV, putative (EC 3.4.14.-) | protein | 659 | 16% helix, 37% strand | Q7MUW6 |
Ligands and binding sites
- AIO · [(2R)-1-(L-alanyl-L-isoleucyl)pyrrolidin-2-yl]boronic acid · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 525 | 0.68 | 0.78 | 79 | AIO |
| 2 | 306 | 0.54 | 0.75 | 37 | empty |
| 3 | 255 | 0.51 | 0.75 | 41 | empty |
| 4 | 114 | 0.39 | 0.75 | 21 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 2EEP · Prolyl Tripeptidyl Aminopeptidase Complexed with an Inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- Q7MUW6 · AlphaFold monomer V2.0 prediction for prolyl tripeptidyl peptidase (Q7MUW6) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 Q7MUW6
- Elsewhere: RCSB PDB 2EEP · PDBe 2EEP · UniProt Q7MUW6
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