2026-10-24_00000402|ligand|9XBU

Crystal structure of human SIRT5 in XR-0931; X-ray diffraction 2.24Å

Protein #1 269 residues (96% resolved)

Raw Sequence ...

ARPSSSMADFRKFFAKAKHIVIISGAGVSAESGVPTFRGAGGYWRKWQAQDLATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETRLGKQGRRVVVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKSPICPALSGKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLDPAILEEVDRELAHCDLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNTETTPATNRFRFHFQGPCGTTLPEALA

Canonical Sequence ...

Non polymer #2 A1EZQ

InChI=1S/C28H30F3N9O5/c1-2-44-22-9-6-19(15-36-22)24-37-16-21(26(43)38-14-18-4-7-20(8-5-18)45-28(29,30)31)25(40-24)33-11-3-12-34-27(39-17-32)35-13-10-23(41)42/h4-9,15-16H,2-3,10-14H2,1H3,(H,38,43)(H,41,42)(H,33,37,40)(H2,34,35,39)

InChI=1S/C28H30F3N9O5/c1-2-44-22-9-6-19(15-36-22)24-37-16-21(26(43)38-14-18-4-7-20(8-5-18)45-28(29,30)31)25(40-24)33-11-3-12-34-27(39-17-32)35-13-10-23(41)42/h4-9,15-16H,2-3,10-14H2,1H3,(H,38,43)(H,41,42)(H,33,37,40)(H2,34,35,39)

SMILES: CCOc1ccc(cn1)c2ncc(c(n2)NCCCN/C(=N/C#N)/NCCC(=O)O)C(=O)NCc3ccc(cc3)OC(F)(F)F

CCOc1ccc(cn1)c2ncc(c(n2)NCCCN/C(=N/C#N)/NCCC(=O)O)C(=O)NCc3ccc(cc3)OC(F)(F)F

Non polymer #3 ZN

InChI=1S/Zn/q+2

SMILES: [Zn+2]

[Zn+2]

Biounit #1 monomer

Biounit #2 monomer

Reference