5WBR: Structure of human Ketohexokinase complexed with hits from fragment screening

PDB ID: 5WBRDownload
MMDB ID: 154470
PDB Deposition Date: 2017/6/29
Updated in MMDB: 2017/11
Experimental Method:
x-ray diffraction
Resolution: 2.58  Å
Source Organism:
Similar Structures:
Biological Unit for 5WBR: dimeric; determined by author and by software (PISA)
Molecular Components in 5WBR
Label Count Molecule
Proteins (2 molecules)
2
Ketohexokinase
(Gene symbol: KHK)
Molecule annotation
Chemicals and Non-standard biopolymers (9 molecules)
1
2
6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
2
5
SULFATE IONSULFATE ION
3
1
CITRIC ACIDCITRIC ACID
4
1
GLYCEROLGLYCEROL
* 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