4KY8: Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, methotrexate, FdUMP and 4-((2-amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)thio)-2-chlorophenyl)-L-glutamic acid

PDB ID: 4KY8Download
MMDB ID: 112861
PDB Deposition Date: 2013/5/28
Updated in MMDB: 2017/11
Experimental Method:
x-ray diffraction
Resolution: 3.084  Å
Source Organism:
Similar Structures:
Biological Unit for 4KY8: dimeric; determined by author and by software (PISA)
Molecular Components in 4KY8
Label Count Molecule
Proteins (2 molecules)
2
Bifunctional Thymidylate Synthase-dihydrofolate Reductase
Molecule annotation
Chemicals and Non-standard biopolymers (8 molecules)
1
2
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATENADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
2
2
5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
3
2
METHOTREXATEMETHOTREXATE
4
2
N-{4-[(2-amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-chlorobenzoyl}-L-glutamic acidN-{4-[(2-amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-chlorobenzoyl}-L-glutamic acid
* 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