2ROU

Stereospecific Conformations of N2-dG 1R-trans-anti-Benzo[c]phenanthrene DNA Adducts: 3'-Intercalation of the 1R Adduct and 5'-Minor Groove Orientation of the 1S Adduct in an Iterated (CG)3 Repeat

Summary for 2ROU

• Entry DOI: 10.2210/pdb2rou/pdb
• Descriptor: DNA (5'-D(*DAP*DTP*DCP*DGP*DCP*DGP*DCP*DGP*DGP*DCP*DAP*DTP*DG)-3'), DNA (5'-D(*DCP*DAP*DTP*DGP*DCP*DCP*DGP*DCP*DGP*DCP*DGP*DAP*DT)-3'), (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL (3 entities in total)
• Functional Keywords: n2-dg 1r-trans-anti-benzo[c]phenanthrene, dna
• Total number of polymer chains: 2
• Total formula weight: 8225.49

Authors

Wang, Y.,Kroth, H.,Yagi, H.,Sayer, J.M.,Kumar, S.,Jerina, D.M.,Stone, M.P. (deposition date: 2008-04-20, release date: 2009-03-03, Last modification date: 2022-03-16)

• Primary citation: Wang, Y.,Schnetz-Boutaud, N.C.,Kroth, H.,Yagi, H.,Sayer, J.M.,Kumar, S.,Jerina, D.M.,Stone, M.P.; 3'-Intercalation of a N2-dG 1R-trans-anti-benzo[c]phenanthrene DNA adduct in an iterated (CG)3 repeat; Chem.Res.Toxicol., 21:1348-1358, 2008; PubMed: 18549249; DOI: 10.1021/tx7004103

Experimental method

SOLUTION NMR