MC6BI

Prompt

3.1.2.27

Hydrolases. Acting on ester bonds. Thiolester hydrolases. choloyl-CoA hydrolase.

AI Generated Sequence

168 AAs
MTEKPLPEGELTLTELVLPADTNALGNVFGGELLAKMDLAASISASRRSRRYVVTASVNQVAFKHAIHLGSVVTLEAKVNRAFTSSMEIGIDVWAEDIRSGTRHKANSCYFTMVAVDDNGRPVPVPALEPETELEIRRYEGALRRRQLRLAVEGKMKPADAVPLKALF

Ligand/Cofactor

choloyl-CoA

CC(CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C4CCC5C4(C(CC6C5C(CC7C6(CCC(C7)O)C)O)O)C

Validation Metrics

PLDDT87.9
NLMSIM60.0
AACOMP93.6
Seqdif (SeqID)31.1 (WP_029034330.1)
Structdif (F-Target)3.7 (5szu A)

ProtNLM

NameScore
Acyl-CoA thioesterase0.630
Acyl-CoA hydrolase0.232
Acyl-CoA thioester hydrolase0.035
3.1.2.-0.025
HotDog ACOT-type domain-containing protein0.019
Thioesterase superfamily protein0.016
Designed by MP, using an AMD MI250 GPU