MolNFT v1 · #81437 · protein
Bovine trypsin variant X(TRIPLEPHE227) in complex with small molecule inhibitor
3UQO · Cationic trypsin: “Bovine trypsin variant X(TRIPLEPHE227) in complex with small molecule inhibitor”. X-ray diffraction, 2 ligands (3YH, CA). MolNFT v1 #81437 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3UQO
- Type
- protein
- Length
- 223 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cationic trypsin
- EC
- 3.4.21.4
- UniProt
- P00760
- Ligands
- 3YH, CA
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cationic trypsin (EC 3.4.21.4) | protein | 223 | 10% helix, 36% strand | P00760 |
Ligands and binding sites
- 3YH · 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide · ligand · chains A
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 3UQO · Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor · the same entry in another collection · 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 0.99
- 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 0.99
- 1TNJ · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 0.99
- 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 0.99
- 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 0.99
- 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 0.99
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 3UQO · PDBe 3UQO · UniProt P00760
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