MolNFT v1 · #22626 · protein
Bovine trypsin complexed to appi
1TAW: “Bovine trypsin complexed to appi”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.28). MolNFT v1 #22626 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1TAW
- Type
- protein
- Length
- 277 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trypsin; Protease inhibitor domain of ALZHEIMER'S amyloid beta- protein precursor
- EC
- 3.4.21.4
- UniProt
- P00760, P05067
- Ligands
- CA
- Pockets
- 1 · best druggability 0.28
Structure
x-ray diffraction · 2 distinct chains · 12% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trypsin (EC 3.4.21.4) | protein | 223 | 10% helix, 37% strand | P00760 |
| B | Protease inhibitor domain of ALZHEIMER'S amyloid beta- protein precursor | protein | 54 | 20% helix, 30% strand | P05067 |
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 | 50 | 0.28 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 648 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
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 P05067
- Elsewhere: RCSB PDB 1TAW · PDBe 1TAW · UniProt P00760 · UniProt P05067
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