MolNFT v1 · #74329 · protein
A crystal structure of trypsin complexed with bpti (bovine pancreatic trypsin inhibitor) by X-RAY/NEUTRON joint refinement
3OTJ · Cationic trypsin: “A crystal structure of trypsin complexed with bpti (bovine pancreatic trypsin inhibitor) by X-RAY/NEUTRON…”. Neutron diffraction; x-ray diffraction, 2 ligands (CA, SO4). MolNFT v1 #74329 on GenesisL1: 3D…
- PDB
- 3OTJ
- Type
- protein
- Length
- 281 residues
- Chains
- 2
- Method
- neutron diffraction; x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cationic trypsin; Pancreatic trypsin inhibitor
- EC
- 3.4.21.4
- UniProt
- P00760, P00974
- Ligands
- CA, SO4
Structure
neutron diffraction; x-ray diffraction · 2 distinct chains · 12% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Cationic trypsin (EC 3.4.21.4) | protein | 223 | 10% helix, 35% strand | P00760 |
| I | Pancreatic trypsin inhibitor | protein | 58 | 21% helix, 28% strand | P00974 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- E–I · 744 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 3OTJ · A Crystal Structure of Trypsin Complexed with BPTI (Bovine Pancreatic Trypsin Inhibitor)… · the same entry in another collection · chain E against E, TM-score 1.00
- 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 1.00
- 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 1.00
- 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 1.00
- 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 1.00
- 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 1.00
- 1TNJ · Prediction of novel serine protease inhibitors · 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 0.97
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 P00974
- Elsewhere: RCSB PDB 3OTJ · PDBe 3OTJ · UniProt P00760 · UniProt P00974
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