MolNFT v1 · #50906 · protein
Anionic salmon trypsin in complex with squash seed inhibitor (cucurbita pepo trypsin inhibitor II)
2STB · Protein (trypsin): “Anionic salmon trypsin in complex with squash seed inhibitor (cucurbita pepo trypsin inhibitor II)”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.37). MolNFT v1 #50906 on GenesisL1: 3D…
- PDB
- 2STB
- 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, P10293
- Ligands
- CA
- Pockets
- 2 · best druggability 0.37
Structure
x-ray diffraction · 2 distinct chains · 10% 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 | P10293 |
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 | 57 | 0.37 | 0.79 | 16 | empty |
| 2 | 93 | 0.36 | 0.75 | 25 | empty |
Interfaces
1 interface between chains.
- E–I · 727 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 2STB · Anionic salmon trypsin in complex with squash seed inhibitor (cucurbita pepo 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
- P10293 · AlphaFold monomer V2.0 prediction for trypsin inhibitor 3 (P10293) · a predicted model of the same protein · chain I against A, TM-score 0.90
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 P10293
- Elsewhere: RCSB PDB 2STB · PDBe 2STB · UniProt P35031 · UniProt P10293
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