MolNFT v1 · #36135 · protein
The crystal structure of bovine lens leucine aminopeptidase in complex with zofenoprilat
2EWB · Cytosol aminopeptidase: “The crystal structure of bovine lens leucine aminopeptidase in complex with zofenoprilat”. X-ray diffraction, 4 ligands (ZED, ZN, NA), 3 pockets (best druggability 0.50). MolNFT v1 #36135 on GenesisL1: 3D…
- PDB
- 2EWB
- Type
- protein
- Length
- 486 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytosol aminopeptidase
- EC
- 3.4.11.1
- UniProt
- P00727
- Ligands
- ZED, ZN, NA, CO3
- Pockets
- 3 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytosol aminopeptidase (EC 3.4.11.1) | protein | 486 | 39% helix, 22% strand | P00727 |
Ligands and binding sites
- ZED · L-proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-4-(phenylthio)-, 4S · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- NA · Sodium ion · metal · chains A
- CO3 · Carbonate ion · ion · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 248 | 0.50 | 0.75 | 36 | CO3, ZED |
| 2 | 138 | 0.42 | 0.75 | 19 | empty |
| 3 | 66 | 0.33 | 0.76 | 18 | empty |
Compared structures
- 2EWB · The crystal structure of Bovine Lens Leucine Aminopeptidase in complex with zofenoprilat · the same entry in another collection · chain A against A, TM-score 1.00
- P00727 · AlphaFold monomer V2.0 prediction for cytosol aminopeptidase (P00727) · 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 P00727
- Elsewhere: RCSB PDB 2EWB · PDBe 2EWB · UniProt P00727
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