4ABF: Fragments bound to bovine trypsin for the SAMPL challenge

PDB ID: 4ABFDownload
MMDB ID: 97149
PDB Deposition Date: 2011/12/8
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 1.3  Å
Source Organism:
Similar Structures:
Biological Unit for 4ABF: monomeric; determined by author and by software (PISA)
Molecular Components in 4ABF
Label Count Molecule
Protein (1 molecule)
1
Cationic Trypsin
(Gene symbol: PRSS1)
Molecule annotation
Chemicals and Non-standard biopolymers (9 molecules)
1
1
SULFATE IONSULFATE ION
2
1
CALCIUM IONCALCIUM ION
3
4
1,2-ETHANEDIOL1,2-ETHANEDIOL
4
1
1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE
5
1
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
6
1
CHLORIDE IONCHLORIDE ION
* 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