3HD3: High resolution crystal structure of cruzain bound to the vinyl sulfone inhibitor SMDC-256047

PDB ID: 3HD3Download
MMDB ID: 77182
PDB Deposition Date: 2009/5/6
Updated in MMDB: 2021/10
Experimental Method:
x-ray diffraction
Resolution: 1.75  Å
Source Organism:
Similar Structures:
Biological Unit for 3HD3: monomeric; determined by author and by software (PISA)
Molecular Components in 3HD3
Label Count Molecule
Protein (1 molecule)
1
Cruzipain
Molecule annotation
Chemicals and Non-standard biopolymers (6 molecules)
1
2
(1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide(1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide
2
1
1,2-ETHANEDIOL1,2-ETHANEDIOL
3
1
ETHANOLETHANOL
4
1
DI(HYDROXYETHYL)ETHERDI(HYDROXYETHYL)ETHER
5
1
SULFATE IONSULFATE 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