MolNFT v1 · #167868 · protein
Triazole bridged SFTI1 inhibitor in complex with beta-trypsin
6VXY · Cationic trypsin: “Triazole bridged SFTI1 inhibitor in complex with beta-trypsin”. X-ray diffraction, 2 ligands (WMH, CA). MolNFT v1 #167868 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6VXY
- Type
- protein
- Length
- 237 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cationic trypsin; SFTI1 inhibitor gly-arg-gly-thr-lys-ser-ile-pro-pro-ile- ala-phe-pro-asp
- EC
- 3.4.21.4
- UniProt
- P00760
- Ligands
- WMH, CA
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cationic trypsin (EC 3.4.21.4) | protein | 223 | 10% helix, 35% strand | P00760 |
| C | SFTI1 inhibitor gly-arg-gly-thr-lys-ser-ile-pro-pro-ile- ala-phe-pro-asp | protein | 14 | 0% helix, 21% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–C · 686 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 2 covalent (disulfide, covalent ligand).
Compared structures
- 6VXY · Triazole bridged SFTI1 inhibitor in complex with beta-trypsin · the same entry in another collection · chain A against A, TM-score 1.00
- 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
- 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
- 1TNJ · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
- 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
- 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
- 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · 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
- Elsewhere: RCSB PDB 6VXY · PDBe 6VXY · UniProt P00760
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