Research workbench
Anionic salmon trypsin in complex with squash seed inhibitor (cucurbita maxima trypsin inhibitor I)
Analyse Anionic salmon trypsin in complex with squash seed inhibitor (cucurbita maxima… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2STA
- Type
- protein
- Length
- 251 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (trypsin); Protein (trypsin inhibitor)
- EC
- 3.4.21.4
- UniProt
- P35031, P01074
- Ligands
- CA
- Pockets
- 2 · best druggability 0.40
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Protein (trypsin) (EC 3.4.21.4) | protein | 222 | 9% helix, 36% strand | P35031 |
| I | Protein (trypsin inhibitor) | protein | 29 | 10% helix, 24% strand | P01074 |
Ligands and binding sites
- CA · Calcium ion · metal · chains E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 112 | 0.40 | 0.76 | 29 | empty |
| 2 | 56 | 0.37 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- E–I · 738 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 2STA · Anionic salmon trypsin in complex with squash seed inhibitor (cucurbita maxima trypsin… · the same entry in another collection · chain E against E, TM-score 1.00
- P35031 · AlphaFold monomer V2.0 prediction for trypsin-1 (P35031) · a predicted model of the same protein · chain E against A, TM-score 0.99
- P01074 · AlphaFold monomer V2.0 prediction for trypsin inhibitor 1 (P01074) · a predicted model of the same protein · chain I against A, TM-score 0.91
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 P35031
- Every structure of UniProt P01074
- Elsewhere: RCSB PDB 2STA · PDBe 2STA · UniProt P35031 · UniProt P01074
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