3KM4: Optimization of Orally Bioavailable Alkyl Amine Renin Inhibitors

PDB ID: 3KM4Download
MMDB ID: 79329
PDB Deposition Date: 2009/11/9
Updated in MMDB: 2023/09
Experimental Method:
x-ray diffraction
Resolution: 1.9  Å
Source Organism:
Similar Structures:
Biological Unit for 3KM4: dimeric; determined by author and by software (PISA)
Molecular Components in 3KM4
Label Count Molecule
Proteins (2 molecules)
2
Renin
(Gene symbol: REN)
Molecule annotation
Chemicals and Non-standard biopolymers (7 molecules)
1
3
2-acetamido-2-deoxy-beta-D-glucopyranose2-acetamido-2-deoxy-beta-D-glucopyranose
2
4
(3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide(3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide
* 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