6XUE: Human Ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in the closed form in crystal form IV

PDB ID: 6XUEDownload
MMDB ID: 193259
PDB Deposition Date: 2020/1/19
Updated in MMDB: 2020/09
Experimental Method:
x-ray diffraction
Resolution: 1.94  Å
Source Organism:
Similar Structures:
Biological Unit for 6XUE: dimeric; determined by author and by software (PISA)
Molecular Components in 6XUE
Label Count Molecule
Proteins (2 molecules)
2
5'-nucleotidase
(Gene symbol: NT5E)
Molecule annotation
Chemicals and Non-standard biopolymers (10 molecules)
1
4
ZINC IONZINC ION
2
2
CALCIUM IONCALCIUM ION
3
2
PHOSPHATE IONPHOSPHATE ION
4
2
4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile
* 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