M1GDN

Prompt

3.1.2.28

Hydrolases. Acting on ester bonds. Thiolester hydrolases. 1,4-dihydroxy-2-naphthoyl-CoA hydrolase.

AI Generated Sequence

500 AAs

MTDTPPPSGQVTLTRLVMPSDTNHLGTIFGGHLMAQMDEAGAIAAARHSRRCVVTASVDGVSFLAPVRVGDLVCLSARVTRVGRTSMEVGVEVWAENLRTGERRHVNSAYFTMVAVDENGKPVPVPPLLPETEEERRRFEGARARARARKLLEGRKLPELEQLLKDKFGTPPDLELLERWGRTSPDVHNFHGTIFGGKLMAWMDEAGAAIAARRHCRRVVVTAVSDMEFLKPIRVGDLVCLYATVTRVGRTSMEIGVEVVAENWLRTGERRECVNACFTFVAVDEDGRPRRVPQLVPQTTEEERRRYEGAARARQRRLLEQGRLKPLDLGLSLDKLLGDPLTLDELLRLLDEEGLDLRLLDLPELRRLLEEGRLVPEGRVLTLDTVFPPTDTNHFGGTIFGGHLMAWMDEAAGYIAARRHCGREVVTASVDGMRFLKPIRVGDLVCLYARVTRVGRTSMEIGVEVVAEDWLREGERRLVNAECFTFVAVDEDGRPRRVPQ

Ligand/Cofactor

1,4-dihydroxy-2-naphthoyl-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)C4=C(C5=CC=CC=C5C(=C4)O)O)O

Validation Metrics

PLDDT	77.5
NLMSIM	65.0
AACOMP	89.4
Seqdif (SeqID)	58.6 (MDR7434147.1)
Structdif (F-Target)	10.6 (4mob A)

ProtNLM

Name	Score
Acyl-CoA thioesterase	0.635
Acyl-CoA hydrolase	0.203
Acyl-CoA thioester hydrolase	0.052
3.1.2.-	0.030
Thioesterase superfamily protein	0.021
HotDog ACOT-type domain-containing protein	0.008