MH0IM

Prompt

3.1.2.29

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

AI Generated Sequence

167 AAs
MTDAPAPASRVLLTRLVMPADTNANGTVHGGTLMAWMDEAAAIAAARHSRRCVVTASVDGMEFLAPVRVGDVVCFSARVTRTGRTSMEIHVEVWAERLDTGERRHVNSCYFTMVAVDENGRPVRVPPVLPETDEEKRRFDEARRRARLRELGRRKALDALAAAEAAL

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
NLMSIM60.0
AACOMP86.0
Seqdif (SeqID)44.5 (WP_230046765.1)
Structdif (F-Target)4.8 (2qq2 A)

ProtNLM

NameScore
Acyl-CoA thioesterase0.606
Acyl-CoA hydrolase0.211
Acyl-CoA thioester hydrolase0.056
Thioesterase superfamily protein0.032
3.1.2.-0.025
HotDog ACOT-type domain-containing protein0.012
Designed by MP, using an AMD MI250 GPU