Research workbench
Crystal structure of the complex formed between bovine beta-trypsin and mcti-a, a trypsin inhibitor of squash family at 1.8 a resolution
Analyse Crystal structure of the complex formed between bovine beta-trypsin and mcti-a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1F2S
- Type
- protein
- Length
- 251 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trypsin; Trypsin inhibitor a
- EC
- 3.4.21.4
- UniProt
- P00760, P10295
- Ligands
- CA
- Pockets
- 2 · best druggability 0.41
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Trypsin (EC 3.4.21.4) | protein | 223 | 11% helix, 36% strand | P00760 |
| I | Trypsin inhibitor a | protein | 28 | 11% helix, 25% strand | P10295 |
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 | 66 | 0.41 | 0.81 | 17 | empty |
| 2 | 60 | 0.34 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- E–I · 822 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 1F2S · Crystal structure of the complex formed between bovine beta-trypsin and mcti-a, a trypsin… · the same entry in another collection · chain E against E, TM-score 1.00
- P10295 · AlphaFold monomer V2.0 prediction for trypsin inhibitor 2 (P10295) · a predicted model of the same protein · chain I against A, TM-score 0.79
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 P00760
- Every structure of UniProt P10295
- Elsewhere: RCSB PDB 1F2S · PDBe 1F2S · UniProt P00760 · UniProt P10295
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