2026-10-10_00000150|ligand|9SV4

The ternary complex of human sirt6, ADPr and small molecule activator.; X-ray diffraction 1.86Å

Protein #1 287 residues (99% resolved)

Raw Sequence ...

ADKGKCGLPEIFDPPEELERKVWELARLVWQSSSVVFHTGAGISTASGIPDFRGPHGVWTMEERGLAPKFDTTFESARPTQTHMALVQLERVGLLRFLVSQNVDGLHVRSGFPRDKLAELHGNMFVEECAKCKTQYVRDTVVGTMGLKATGRLCTVAKARGLRACRGELRDTILDWEDSLPDRDLALADEASRNADLSITLGTSLQIRPSGNLPLATKRRGGRLVIVNLQPTKHDRHADLRIHGYVDEVMTRLMKHLGLEIPAWDGPRVLERALPPLPRPPTPKLEP

Canonical Sequence ...

Non polymer #2 A1JQU

InChI=1S/C26H24N6O2/c1-31-24(27)21(16-29-31)26(34)32-14-12-17-7-2-3-9-19(17)23(32)20-10-4-5-11-22(20)30-25(33)18-8-6-13-28-15-18/h2-11,13,15-16,23H,12,14,27H2,1H3,(H,30,33)/t23-/m0/s1

SMILES: Cn1c(c(cn1)C(=O)N2CCc3ccccc3[C@H]2c4ccccc4NC(=O)c5cccnc5)N

Cn1c(c(cn1)C(=O)N2CCc3ccccc3[C@H]2c4ccccc4NC(=O)c5cccnc5)N

Non polymer #3 AR6

InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1

InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(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]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N

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

Non polymer #4 PGE

InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

SMILES: C(COCCOCCO)O

C(COCCOCCO)O

Non polymer #5 ZN

InChI=1S/Zn/q+2

SMILES: [Zn+2]

[Zn+2]

Biounit #1 homo-hexamer

Reference