MEXHW

Prompt

3.1.2.32

Hydrolases. Acting on ester bonds. Thiolester hydrolases. 2-aminobenzoylacetyl-CoA thioesterase.

AI Generated Sequence

170 AAs
MTDKVSLESRLLTLETLMPDLTNGRGSLFGGKILAQLDMVAASLAASRACEEVVTASVSAMHFLRPIPLGDEVTIYASVNHTGNTSMTIGVRVWAEKINRGERTHTNSAFITFVAVDEDGKPVEVPPELLPTEEEAERLYAGLRRAQLRKLGVRGKIAMRKVGKPPDFIG

Ligand/Cofactor

2-aminobenzoylacetyl-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)CC(=O)C4=CC=CC=C4N)O

Validation Metrics

PLDDT73.7
NLMSIM75.0
AACOMP94.3
Seqdif (SeqID)51.7 (OEU70389.1)
Structdif (F-Target)5.8 (2qq2 L)

ProtNLM

NameScore
Acyl-CoA thioesterase0.712
Acyl-CoA hydrolase0.166
Acyl-CoA thioester hydrolase0.033
3.1.2.-0.019
HotDog ACOT-type domain-containing protein0.019
Thioesterase superfamily protein0.013
Designed by MP, using an AMD MI250 GPU