2024-09-21_00000140|ligand|8WJC

Structure of AcrIIA7 complexed with 3'3'-cGAMP; X-ray diffraction 2.11Å

Protein #1 104 residues (100% resolved)

Raw Sequence ...

SMTFGQALESLKRGHLVARKGWNGKGMFIFMRPEDSLPTNMIVNQVKSLPESFKRWVANNHGDSETDRIKFTAYLCMKAADGTIVNGWLASQTDMLANDWVIVE

Canonical Sequence ...

SMTFGQALESLKRGHLVARKGWNGKGMFIFMRPEDSLPTNMIVNQVKSLPESFKRWVANNHGDSETDRIKFTAYLCMKAADGTIVNGWLASQTDMLANDWVIVE

Non polymer #2 4BW

InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-10(31)12-6(40-18)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(11(13)32)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1

InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-10(31)12-6(40-18)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(11(13)32)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/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)n6cnc7c6N=C(NC7=O)N)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)n6cnc7c6N=C(NC7=O)N)O)O)N

Biounit #1 homo-tetramer

Reference