Research workbench
Crystal structure of porcine pancreatic elastase complexed with a macroclyclic peptide inhibitor
Analyse Crystal structure of porcine pancreatic elastase complexed with a macroclyclic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2CV3
- Type
- protein
- Length
- 251 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Elastase 1; Inhibitor FR901451
- EC
- 3.4.21.36
- UniProt
- P00772
- Pockets
- 1 · best druggability 0.31
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Elastase 1 (EC 3.4.21.36) | protein | 240 | 11% helix, 39% strand | P00772 |
| B | Inhibitor FR901451 | protein | 11 | 0% helix, 9% strand | — |
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.31 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 660 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 1 isopeptide (disulfide, isopeptide).
Compared structures
- 2CV3 · Crystal structure of porcine pancreatic elastase complexed with a macroclyclic peptide… · the same entry in another collection · chain A against A, TM-score 1.00
- P00772 · AlphaFold monomer V2.0 prediction for chymotrypsin-like elastase family member 1 (P00772) · 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 P00772
- Elsewhere: RCSB PDB 2CV3 · PDBe 2CV3 · UniProt P00772
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