2026-05-23_00000282|ligand|9V0H

Crystal structure of human SIRT5 in complex with inhibitor 0904; X-ray diffraction 1.67Å

Protein #1 269 residues (100% resolved)

Raw Sequence ...

ARPSSSMADFRKFFAKAKHIVIISGAGVSAESGVPTFRGAGGYWRKWQAQDLATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETRLGKQGRRVVVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKSPICPALSGKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLDPAILEEVDRELAHCDLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNTETTPATNRFRFHFQGPCGTTLPEALA

Canonical Sequence ...

Non polymer #2 A1EQQ

InChI=1S/C29H36N8O6/c1-3-23(20-9-6-5-7-10-20)35-29(40)22-18-34-27(21-11-12-25(33-17-21)43-4-2)36-28(22)32-15-8-14-30-24(19-37(41)42)31-16-13-26(38)39/h5-7,9-12,17-19,23,30-31H,3-4,8,13-16H2,1-2H3,(H,35,40)(H,38,39)(H,32,34,36)/b24-19+/t23-/m1/s1

InChI=1S/C29H36N8O6/c1-3-23(20-9-6-5-7-10-20)35-29(40)22-18-34-27(21-11-12-25(33-17-21)43-4-2)36-28(22)32-15-8-14-30-24(19-37(41)42)31-16-13-26(38)39/h5-7,9-12,17-19,23,30-31H,3-4,8,13-16H2,1-2H3,(H,35,40)(H,38,39)(H,32,34,36)/b24-19+/t23-/m1/s1

SMILES: CC[C@H](c1ccccc1)NC(=O)c2cnc(nc2NCCCN/C(=C\[N+](=O)[O-])/NCCC(=O)O)c3ccc(nc3)OCC

CC[C@H](c1ccccc1)NC(=O)c2cnc(nc2NCCCN/C(=C\[N+](=O)[O-])/NCCC(=O)O)c3ccc(nc3)OCC

Non polymer #3 ZN

InChI=1S/Zn/q+2

SMILES: [Zn+2]

[Zn+2]

Biounit #1 monomer

Biounit #2 monomer

Reference