MolNFT v2 · #63951 · protein
Anionic trypsin in complex with bovine pancreatic trypsin inhibitor (BPTI) determined to the 1.49 A resolution limit
3FP6 · Anionic trypsin-2: “Anionic trypsin in complex with bovine pancreatic trypsin inhibitor (BPTI) determined to the 1.49 A…”. X-ray diffraction at 1.49, 2 ligands (CA, SO4), 2 pockets (best druggability 0.32). MolNFT v2 #63951 on…
- PDB
- 3FP6
- Type
- protein
- Length
- 281 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.49
- Source
- Bos taurus; Rattus norvegicus
- Molecule
- Anionic trypsin-2; Pancreatic trypsin inhibitor
- EC
- 3.4.21.4
- UniProt
- P00763, P00974
- Ligands
- CA, SO4
- Pockets
- 2 · best druggability 0.32
Structure
x-ray diffraction · resolution 1.49 · 2 distinct chains · 12% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Anionic trypsin-2 (EC 3.4.21.4) | protein | 223 | 10% helix, 36% strand | P00763 |
| I | Pancreatic trypsin inhibitor | protein | 58 | 21% helix, 28% strand | P00974 |
Ligands and binding sites
- CA · Calcium ion · metal · chains E
- SO4 · Sulfate ion · ion · 4 copies · chains E, I
- EDO · 1,2-ethanediol · additive · 8 copies · chains E, I
- PG4 · Tetraethylene glycol · additive · 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 | 0.32 | 0.75 | 14 | EDO |
| 2 | 71 | 0.28 | 0.72 | 15 | SO4 |
Interfaces
1 interface between chains.
- E–I · 664 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 3FP6 · Anionic trypsin in complex with bovine pancreatic trypsin inhibitor (bpti) determined to… · 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 0.98
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 3FP6 · PDBe 3FP6 · UniProt P00763 · UniProt P00974
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.