M8W6J

Prompt

3.1.2.11

Hydrolases. Acting on ester bonds. Thiolester hydrolases. acetoacetyl-CoA hydrolase.

AI Generated Sequence

165 AAs
MTLTLMTPDNANPFNGTHGGWILGWMDVAAAVVASRHAGRCVVTASIDNVEFLQPVSVGDLVCMKAEVNHGFRTSMEVGIKVVAERINSGEARHTNSHLFTMVAVDENGKPRPVPALVVETTDEERRGYCGAAAVAAKREAAEKALPLIAEINKLIPTFGDGHIV

Ligand/Cofactor

acetoacetyl-CoA

CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

Validation Metrics

PLDDT79.8
NLMSIM70.0
AACOMP90.6
Seqdif (SeqID)45.5 (WP_234696371.1)
Structdif (F-Target)8.7 (5szu A)

ProtNLM

NameScore
Acyl-CoA thioesterase0.667
Acyl-CoA hydrolase0.161
Acyl-CoA thioester hydrolase0.047
Thioesterase superfamily protein0.029
HotDog ACOT-type domain-containing protein0.029
3.1.2.-0.013
Designed by MP, using an AMD MI250 GPU