Research workbench
Crystal structures of rat anionic trypsin complexed with the protein inhibitors appi and bpti
Analyse Crystal structures of rat anionic trypsin complexed with the protein inhibitors… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1BRB
- Type
- protein
- Length
- 274 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trypsin; Pancreatic trypsin inhibitor
- EC
- 3.4.21.4
- UniProt
- P00763, P00974
- Pockets
- 2 · best druggability 0.34
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Trypsin (EC 3.4.21.4) | protein | 223 | 10% helix, 35% strand | P00763 |
| I | Pancreatic trypsin inhibitor | protein | 51 | 14% helix, 31% strand | P00974 |
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 | 64 | 0.34 | 0.77 | 17 | empty |
| 2 | 69 | 0.34 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- E–I · 719 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 1BRB · Crystal structures of rat anionic trypsin complexed with the protein inhibitors appi and… · the same entry in another collection · chain E against E, TM-score 1.00
- P00763 · AlphaFold monomer V2.0 prediction for anionic trypsin-2 (P00763) · a predicted model of the same protein · chain E against A, TM-score 1.00
- P00974 · AlphaFold monomer V2.0 prediction for pancreatic trypsin inhibitor (P00974) · a predicted model of the same protein · chain I against A, TM-score 0.99
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 1BRB · PDBe 1BRB · UniProt P00763 · UniProt P00974
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