Research workbench
Rat trypsinogen mutant complexed with bovine pancreatic trypsin inhibitor
Analyse Rat trypsinogen mutant complexed with bovine pancreatic trypsin inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1F5R
- Type
- protein
- Length
- 273 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trypsin II, anionic; Pancreatic trypsin inhibitor
- EC
- 3.4.21.4
- UniProt
- P00763, P00974
- Ligands
- CA
- Pockets
- 1 · best druggability 0.33
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trypsin II, anionic (EC 3.4.21.4) | protein | 216 | 10% helix, 36% strand | P00763 |
| I | Pancreatic trypsin inhibitor | protein | 57 | 26% helix, 28% strand | P00974 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 73 | 0.33 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–I · 704 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 1F5R · Rat trypsinogen mutant complexed with bovine pancreatic trypsin inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P00763 · AlphaFold monomer V2.0 prediction for anionic trypsin-2 (P00763) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P00974 · AlphaFold monomer V2.0 prediction for pancreatic trypsin inhibitor (P00974) · a predicted model of the same protein · chain I against A, TM-score 0.98
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 P00763
- Every structure of UniProt P00974
- Elsewhere: RCSB PDB 1F5R · PDBe 1F5R · UniProt P00763 · UniProt P00974
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