2026-10-31_00000646|medium|37TG

Minimal diadenylate cyclase from E. coli PanDA immune system - IEX; X-ray diffraction 1.99Å

Protein #1 146 residues (100% resolved)

Raw Sequence ...

SMTKEKLYKLLYDIWKKSSRAYFSGIGVIICNNPDSLPITSLRNIDPIQNDSTLELLSRISNKNSEYHDGFHILDEAGNVTYTAQYFSPPIIENISFDSSRLVGGRFVAALYGSCIDEIKLTGIVGERGRLSIFEAGKEVYYEELQ

Canonical Sequence ...

SMTKEKLYKLLYDIWKKSSRAYFSGIGVIICNNPDSLPITSLRNIDPIQNDSTLELLSRISNKNSEYHDGFHILDEAGNVTYTAQYFSPPIIENISFDSSRLVGGRFVAALYGSCIDEIKLTGIVGERGRLSIFEAGKEVYYEELQ

Non polymer #2 A1AEP

InChI=1S/C19H23N7O14P2/c20-15-10-16(22-5-21-15)26(6-23-10)18-12(29)14-8(38-18)4-36-41(31,32)39-13-7(3-35-42(33,34)40-14)37-17(11(13)28)25-2-1-9(27)24-19(25)30/h1-2,5-8,11-14,17-18,28-29H,3-4H2,(H,31,32)(H,33,34)(H2,20,21,22)(H,24,27,30)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1

InChI=1S/C19H23N7O14P2/c20-15-10-16(22-5-21-15)26(6-23-10)18-12(29)14-8(38-18)4-36-41(31,32)39-13-7(3-35-42(33,34)40-14)37-17(11(13)28)25-2-1-9(27)24-19(25)30/h1-2,5-8,11-14,17-18,28-29H,3-4H2,(H,31,32)(H,33,34)(H2,20,21,22)(H,24,27,30)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1

SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)O)O)N

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)O)O)N

Biounit #1 homo-dimer

Biounit #2 homo-dimer

Reference