2025-07-26_00000290|hard|9P8L

Structure of Lockin in complex with 3'cADPR; X-ray diffraction 1.62Å

Protein #1 98 residues (97% resolved)

Raw Sequence ...

SMKEKDLGITEVRGAKANITDLVVYGNGDTFALLCKASSQEQGWMKSTKVCNVYGGCIVQVTTQQRNPDGSYALAEALTFVPNNHIDTSGNTRFIGKI

Canonical Sequence ...

SMKEKDLGITEVRGAKANITDLVVYGNGDTFALLCKASSQEQGWMKSTKVCNVYGGCIVQVTTQQRNPDGSYALAEALTFVPNNHIDTSGNTRFIGKI

Non polymer #2 OJC

InChI=1S/C15H21N5O13P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)11-6(30-14)2-29-35(26,27)33-34(24,25)28-1-5-8(21)9(22)15(31-5)32-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1

InChI=1S/C15H21N5O13P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)11-6(30-14)2-29-35(26,27)33-34(24,25)28-1-5-8(21)9(22)15(31-5)32-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1

SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)O4)O)O)O)O)O)N

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)O4)O)O)O)O)O)N

Biounit #1 homo-hexamer

Reference