3T6I: Endothiapepsin in complex with an azepin derivative

PDB ID: 3T6IDownload
MMDB ID: 101582
PDB Deposition Date: 2011/7/28
Updated in MMDB: 2023/09
Experimental Method:
x-ray diffraction
Resolution: 1.32  Å
Source Organism:
Similar Structures:
Biological Unit for 3T6I: monomeric; determined by author and by software (PISA)
Molecular Components in 3T6I
Label Count Molecule
Protein (1 molecule)
1
Endothiapepsin
Molecule annotation
Chemicals and Non-standard biopolymers (8 molecules)
1
1
(3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1H-azepinium(3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1H-azepinium
2
1
(3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium(3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium
3
1
4-bromobenzoic acid4-bromobenzoic acid
4
1
GLYCEROLGLYCEROL
5
1
SULFATE IONSULFATE ION
6
2
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
7
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