MolNFT v1 · #118072 · protein
A rational approach to the design of antihypertensives. X-ray studies of complexes between aspartic proteinases and aminoalcohol renin inhibitors
5ER1 · Endothiapepsin: “A rational approach to the design of antihypertensives. X-ray studies of complexes between aspartic…”. X-ray diffraction, 1 ligand (0HT), 1 pocket (best druggability 0.58). MolNFT v1 #118072 on GenesisL1: 3D…
- PDB
- 5ER1
- Type
- protein
- Length
- 330 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endothiapepsin
- EC
- 3.4.23.6
- UniProt
- P11838
- Ligands
- 0HT
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 9% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Endothiapepsin (EC 3.4.23.6) | protein | 330 | 9% helix, 48% strand | P11838 |
Ligands and binding sites
- 0HT · methyl N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-L-phenylalaninate · ligand · chains E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 307 | 0.58 | 0.77 | 35 | 0HT |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5ER1 · A rational approach to the design of antihypertensives. X-ray studies of complexes… · the same entry in another collection · chain E against E, TM-score 1.00
- P11838 · AlphaFold monomer V2.0 prediction for endothiapepsin (P11838) · a predicted model of the same protein · chain E 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 P11838
- Elsewhere: RCSB PDB 5ER1 · PDBe 5ER1 · UniProt P11838
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