MolNFT v2 · #51023 · protein
Structure of a tick tryptase inhibitor in complex with bovine trypsin
2UUY · Cationic trypsin: “Structure of a tick tryptase inhibitor in complex with bovine trypsin”. X-ray diffraction at 1.15, 2 ligands (CA, CL), 2 pockets (best druggability 0.45). MolNFT v2 #51023 on GenesisL1: 3D structure, binding sites…
- PDB
- 2UUY
- Type
- protein
- Length
- 275 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.15
- Source
- BOS TAURUS; RHIPICEPHALUS APPENDICULATUS
- Molecule
- Cationic trypsin; Tryptase inhibitor
- EC
- 3.4.21.4
- UniProt
- P00760, Q1EG59
- Ligands
- CA, CL
- Pockets
- 2 · best druggability 0.45
Structure
x-ray diffraction · resolution 1.15 · 2 distinct chains · 11% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cationic trypsin (EC 3.4.21.4) | protein | 223 | 11% helix, 36% strand | P00760 |
| B | Tryptase inhibitor | protein | 52 | 10% helix, 31% strand | Q1EG59 |
Ligands and binding sites
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 | 104 | 0.45 | 0.79 | 23 | empty |
| 2 | 61 | 0.28 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 659 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 2UUY · Structure of a tick tryptase inhibitor in complex with bovine trypsin · the same entry in another collection · chain A against A, TM-score 1.00
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 Q1EG59
- Elsewhere: RCSB PDB 2UUY · PDBe 2UUY · UniProt P00760 · UniProt Q1EG59
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