5ECC: Klebsiella pneumoniae DfrA1 complexed with NADPH and 6-ethyl-5-(3-(2-methoxy-5-(pyridin-4-yl)phenyl)prop-1-yn-1-yl)pyrimidine-2,4-diamine

PDB ID: 5ECCDownload
MMDB ID: 139309
PDB Deposition Date: 2015/10/20
Updated in MMDB: 2019/12
Experimental Method:
x-ray diffraction
Resolution: 1.87  Å
Source Organism:
Similar Structures:
Biological Unit for 5ECC: dimeric; determined by author and by software (PISA)
Molecular Components in 5ECC
Label Count Molecule
Proteins (2 molecules)
2
Dehydrofolate Reductase Type I
(Gene symbol: dfrA1)
Molecule annotation
Chemicals and Non-standard biopolymers (11 molecules)
1
2
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATENADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
2
4
6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
3
2
GLYCEROLGLYCEROL
4
3
CALCIUM IONCALCIUM 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