3QAI: X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 3

PDB ID: 3QAIDownload
MMDB ID: 96489
PDB Deposition Date: 2011/1/11
Updated in MMDB: 2017/11
Experimental Method:
x-ray diffraction
Resolution: 2.7  Å
Source Organism:
Similar Structures:
Biological Unit for 3QAI: dimeric; determined by author and by software (PISA)
Molecular Components in 3QAI
Label Count Molecule
Proteins (2 molecules)
2
Ketohexokinase
(Gene symbol: KHK)
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
3
SULFATE IONSULFATE ION
2
2
N~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamineN~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine
* 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