M0I0F

Prompt

3.1.2.29

Hydrolases. Acting on ester bonds. Thiolester hydrolases. fluoroacetyl-CoA thioesterase.

AI Generated Sequence

169 AAs
MTEKPASESQVILTELVLPSDTNALGTVFGGELLAKMDLAAAISARRHSRRIVVTASVDQVAFLHPIHLGSVVTLEAYVNRTFRSSMEIGVKVVAEDIRSGVRRHTNSAYFTMVALDDEGRPVPVPALVPETELEKRRYEGALRRRQLRLTLEGKMKPTEDAELKALFI

Ligand/Cofactor

fluoroacetyl-CoA

CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CF)O

Validation Metrics

PLDDT88.0
NLMSIM65.0
AACOMP92.4
Seqdif (SeqID)34.3 (MBK8600166.1)
Structdif (F-Target)4.3 (3sps B)

ProtNLM

NameScore
Acyl-CoA thioesterase0.650
Acyl-CoA hydrolase0.216
Acyl-CoA thioester hydrolase0.026
3.1.2.-0.024
Thioesterase superfamily protein0.021
HotDog ACOT-type domain-containing protein0.019
Designed by MP, using an AMD MI250 GPU