2026-10-24_00000401
|
ligand
|
9XBT
Crystal structure of human SIRT5 in complex with inhibitor 728;
X-ray diffraction 2.14Å
Protein #1
269 residues (96% resolved)
Raw Sequence ...
ARPSSSMADFRKFFAKAKHIVIISGAGVSAESGVPTFRGAGGYWRKWQAQDLATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETRLGKQGRRVVVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKSPICPALSGKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLDPAILEEVDRELAHCDLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNTETTPATNRFRFHFQGPCGTTLPEALA
Canonical Sequence ...
ARPSSSMADFRKFFAKAKHIVIISGAGVSAESGVPTFRGAGGYWRKWQAQDLATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETRLGKQGRRVVVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKSPICPALSGKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLDPAILEEVDRELAHCDLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNTETTPATNRFRFHFQGPCGTTLPEALA
Non polymer #2
A1EZP
InChI=1S/C27H32ClN7O3S/c1-2-21(18-9-4-3-5-10-18)33-25(38)19-17-32-26(34-22-12-7-6-11-20(22)28)35-24(19)29-14-8-15-30-27(39)31-16-13-23(36)37/h3-7,9-12,17,21H,2,8,13-16H2,1H3,(H,33,38)(H,36,37)(H2,30,31,39)(H2,29,32,34,35)/t21-/m0/s1
InChI=1S/C27H32ClN7O3S/c1-2-21(18-9-4-3-5-10-18)33-25(38)19-17-32-26(34-22-12-7-6-11-20(22)28)35-24(19)29-14-8-15-30-27(39)31-16-13-23(36)37/h3-7,9-12,17,21H,2,8,13-16H2,1H3,(H,33,38)(H,36,37)(H2,30,31,39)(H2,29,32,34,35)/t21-/m0/s1
SMILES: CC[C@@H](c1ccccc1)NC(=O)c2cnc(nc2NCCCNC(=S)NCCC(=O)O)Nc3ccccc3Cl
CC[C@@H](c1ccccc1)NC(=O)c2cnc(nc2NCCCNC(=S)NCCC(=O)O)Nc3ccccc3Cl
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
homo-dimer
Download coordinates
Tube
Model
Reference
100%