2024-08-03_00000141|medium|8R2J

X-ray crystallographic structure of SwaQ2 in complex with NADP+ and doxorubicin; X-ray diffraction 2.40Å
Protein #1 292 residues (94% resolved)

STILVTGATGNVGRNVVRQLAERGHDVRALTRRARPGAAPEGVRVQEGDLTHPKTLKDALEGVDALFLFPVAATAEEVVGMAKSAGVRRIVVLSSGAVTAGYDTDFHLPVERAVEASGLEWTHVRPGEFAMNKLALWGPPIRAERVVREPAPDAGWFPVHEQDIADVAVLALTEEGHAGQAYTLNGPELLTHRRQVELIADAMGEEIRLEVVTPQQAREIYLAQGGFAAENVDFLLGFEDYGGNESDPSAEAEAEAFDLSSLGPMPTAEAVTGRPARTFAQWARDHADEFRA

STILVTGATGNVGRNVVRQLAERGHDVRALTRRARPGAAPEGVRVQEGDLTHPKTLKDALEGVDALFLFPVAATAEEVVGMAKSAGVRRIVVLSSGAVTAGYDTDFHLPVERAVEASGLEWTHVRPGEFAMNKLALWGPPIRAERVVREPAPDAGWFPVHEQDIADVAVLALTEEGHAGQAYTLNGPELLTHRRQVELIADAMGEEIRLEVVTPQQAREIYLAQGGFAAENVDFLLGFEDYGGNESDPSAEAEAEAFDLSSLGPMPTAEAVTGRPARTFAQWARDHADEFRA
Non polymer #2 DM2

InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O
Non polymer #3 NAP

InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
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Reference