6RGK: Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-055

PDB ID: 6RGKDownload
MMDB ID: 177815
PDB Deposition Date: 2019/4/16
Updated in MMDB: 2019/09
Experimental Method:
x-ray diffraction
Resolution: 2.03  Å
Source Organism:
Similar Structures:
Biological Unit for 6RGK: monomeric; determined by author
Molecular Components in 6RGK
Label Count Molecule
Protein (1 molecule)
1
Phosphodiesterase
Molecule annotation
Chemicals and Non-standard biopolymers (8 molecules)
1
1
ZINC IONZINC ION
2
1
MAGNESIUM IONMAGNESIUM ION
3
1
FORMIC ACIDFORMIC ACID
4
1
GLYCEROLGLYCEROL
5
3
GUANIDINEGUANIDINE
6
1
3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-butyl-prop-2-ynamide3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-butyl-prop-2-ynamide
* 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