3JWK

Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and (S)-2,4-diamino-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine (UCP114A)

Summary for 3JWK

• Entry DOI: 10.2210/pdb3jwk/pdb
• Related: 3EOB 3JVX 3JW3 3JW5 3JWC 3JWF 3JWM
• Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, ... (4 entities in total)
• Functional Keywords: oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Bacillus anthracis
• Total number of polymer chains: 2
• Total formula weight: 42219.17

Authors

Anderson, A.C.,Beierlein, J.M.,Karri, N.G. (deposition date: 2009-09-18, release date: 2010-09-29, Last modification date: 2023-09-06)

• Primary citation: Beierlein, J.M.,Karri, N.G.,Anderson, A.C.; Targeted Mutations in Bacillus anthracis Dihydrofolate Reductase Condense Complex Structure-Activity Relationships; J.Med.Chem., 2010

Experimental method

X-RAY DIFFRACTION (2.08 Å)