Research workbench
S195A trypsinogen complexed with bovine pancreatic trypsin inhibitor (bpti)
Analyse S195A trypsinogen complexed with bovine pancreatic trypsin inhibitor (bpti) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TGJ
- Type
- protein
- Length
- 271 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trypsin; Bovine pancreatic trypsin inhibitor
- EC
- 3.4.21.4
- UniProt
- P00763, P00974
- Ligands
- CA, SO4
- Pockets
- 1 · best druggability 0.31
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Trypsin (EC 3.4.21.4) | protein | 215 | 11% helix, 37% strand | P00763 |
| I | Bovine pancreatic trypsin inhibitor | protein | 56 | 20% helix, 29% strand | P00974 |
Ligands and binding sites
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 | 57 | 0.31 | 0.76 | 15 | SO4 |
Interfaces
1 interface between chains.
- E–I · 686 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 3TGJ · S195A trypsinogen complexed with bovine pancreatic trypsin inhibitor (bpti) · 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 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 3TGJ · PDBe 3TGJ · UniProt P00763 · UniProt P00974
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