MU9C3

Prompt

3.1.2.28

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

AI Generated Sequence

170 AAs
MTDPAPAPASRVVLRTLVMPHDTNANGTVFGGWLMAQMDEAASIAARRHSRRCVVTASVDGMEFLAPVAVGDLVCLYARVTYVGRTSMEIGVEVWAENIRTGERRHVNSCYFTFVAVDENGKPRPVPPLVPETDEEKRRFEEARRRERLRKLGRGELMPDLAALTKEKWF

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

PLDDT86.5
NLMSIM65.0
AACOMP89.4
Seqdif (SeqID)44.5 (OGU33703.1)
Structdif (F-Target)2.7 (2qq2 E)

ProtNLM

NameScore
Acyl-CoA thioesterase0.611
Acyl-CoA hydrolase0.155
Acyl-CoA thioester hydrolase0.073
3.1.2.-0.037
Thioesterase superfamily protein0.036
Thioesterase family protein0.016
Designed by MP, using an AMD MI250 GPU