3ROA: Candida glabrata dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1004)

PDB ID: 3ROADownload
MMDB ID: 99330
PDB Deposition Date: 2011/4/25
Updated in MMDB: 2017/11
Experimental Method:
x-ray diffraction
Resolution: 2.301  Å
Source Organism:
Similar Structures:
Biological Unit for 3ROA: monomeric; determined by author and by software (PISA)
Molecular Components in 3ROA
Label Count Molecule
Protein (1 molecule)
1
Strain Cbs138 Chromosome J Complete Sequence
(Gene symbol: CAGL0J03894g)
Molecule annotation
Chemicals and Non-standard biopolymers (4 molecules)
1
1
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATENADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
2
1
6-ethyl-5-{(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine6-ethyl-5-{(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
3
2
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