3UPE: Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor

PDB ID: 3UPEDownload
MMDB ID: 105146
PDB Deposition Date: 2011/11/18
Updated in MMDB: 2012/11
Experimental Method:
x-ray diffraction
Resolution: 1.54  Å
Source Organism:
Similar Structures:
Biological Unit for 3UPE: monomeric; determined by author and by software (PISA)
Molecular Components in 3UPE
Label Count Molecule
Protein (1 molecule)
1
Cationic Trypsin
(Gene symbol: PRSS1)
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
1
CALCIUM IONCALCIUM ION
2
1
1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid
3
2
SULFATE IONSULFATE ION
4
1
GLYCEROLGLYCEROL
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303