Research workbench
Complex of ascaris CHYMOTRPSIN/ELASTASE inhibitor with porcine elastase
Analyse Complex of ascaris CHYMOTRPSIN/ELASTASE inhibitor with porcine elastase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1EAI
- Type
- protein
- Length
- 602 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (elastase); Protein (CHYMOTRYPSIN/ELASTASE isoinhibitor 1)
- EC
- 3.4.21.36
- UniProt
- P00772, P07851
- Pockets
- 8 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein (elastase) (EC 3.4.21.36) | protein | 240 | 10% helix, 38% strand | P00772 |
| C, D | Protein (CHYMOTRYPSIN/ELASTASE isoinhibitor 1) | protein | 61 | 10% helix, 30% strand | P07851 |
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 57 | 0.68 | 0.96 | 21 | empty |
| 2 | 760 | 0.67 | 0.75 | 63 | empty |
| 3 | 728 | 0.66 | 0.74 | 70 | empty |
| 4 | 58 | 0.64 | 0.94 | 20 | empty |
| 5 | 81 | 0.60 | 0.88 | 21 | empty |
Interfaces
5 interfaces between chains.
- B–D · 1053 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 1040 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 221 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 202 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 11 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide (disulfide).
Compared structures
- 1EAI · Complex of ascaris CHYMOTRPSIN/ELASTASE inhibitor with porcine elastase · 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 0.98
- P07851 · AlphaFold monomer V2.0 prediction for CHYMOTRYPSIN/ELASTASE isoinhibitor 1 (P07851) · a predicted model of the same protein · chain C against A, TM-score 0.88
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
- Every structure of UniProt P07851
- Elsewhere: RCSB PDB 1EAI · PDBe 1EAI · UniProt P00772 · UniProt P07851
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