Research workbench
Structures of complexes of rhizopuspepsin with pepstatin and other statine-containing inhibitors
Analyse Structures of complexes of rhizopuspepsin with pepstatin and other… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4APR
- Type
- protein
- Length
- 330 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rhizopuspepsin; Pepstatin-like renin inhibitor
- EC
- 3.4.23.6
- UniProt
- P06026
- Pockets
- 2 · best druggability 0.33
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Rhizopuspepsin (EC 3.4.23.6) | protein | 325 | 14% helix, 46% strand | P06026 |
| I | Pepstatin-like renin inhibitor | protein | 5 | 0% helix, 20% strand | — |
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 52 | 0.33 | 0.78 | 12 | empty |
| 2 | 53 | 0.28 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- E–I · 633 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 1 modified (disulfide, nonstandard).
Compared structures
- 4APR · Structures of complexes of rhizopuspepsin with pepstatin and other statine-containing… · the same entry in another collection · chain E against E, TM-score 1.00
- P06026 · AlphaFold monomer V2.0 prediction for rhizopuspepsin (P06026) · a predicted model of the same protein · chain E 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 P06026
- Elsewhere: RCSB PDB 4APR · PDBe 4APR · UniProt P06026
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