4BB6: Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors

PDB ID: 4BB6Download
MMDB ID: 105597
PDB Deposition Date: 2012/9/20
Updated in MMDB: 2012/12
Experimental Method:
x-ray diffraction
Resolution: 2.55  Å
Source Organism:
Similar Structures:
Biological Unit for 4BB6: dimeric; determined by software (PISA)
Molecular Components in 4BB6
Label Count Molecule
Proteins (2 molecules)
2
Corticosteroid 11-beta-dehydrogenase Isozyme 1
(Gene symbol: HSD11B1)
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
2
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATENADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
2
2
6-(4-methylpiperazin-1-yl)-N-[(1R,3S)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide6-(4-methylpiperazin-1-yl)-N-[(1R,3S)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide
3
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