MolNFT v1 · #34380 · protein
Crystal structure of porcine pancreatic elastase with a unique conformation induced by tris
2DE8 · Elastase-1: “Crystal structure of porcine pancreatic elastase with a unique conformation induced by tris”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.56). MolNFT v1 #34380 on GenesisL1: 3D structure, binding…
- PDB
- 2DE8
- Type
- protein
- Length
- 240 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Elastase-1
- EC
- 3.4.21.36
- UniProt
- P00772
- Ligands
- CL
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 9% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Elastase-1 (EC 3.4.21.36) | protein | 240 | 9% helix, 35% strand | P00772 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 52 | 0.56 | 0.90 | 19 | empty |
| 2 | 97 | 0.37 | 0.75 | 28 | CL |
| 3 | 63 | 0.34 | 0.77 | 13 | empty |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2DE8 · Crystal structure of porcine pancreatic elastase with a unique conformation induced by… · 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 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 P00772
- Elsewhere: RCSB PDB 2DE8 · PDBe 2DE8 · UniProt P00772
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