MOVWZ

Prompt

4.2.1.17

Lyases. Carbon-oxygen lyases. Hydro-lyases. enoyl-CoA hydratase.

AI Generated Sequence

709 AAs
MTDYTTLTTTTDDGIAVITLNRPPKVNALSPAMVEELGAAVDRAEADPAVRAIVLTGAGKAFCGGADIKEFGKTPPPEPVPDFGGLTTLRRLPKPIVAKVNGPAIGGGCELGGLCDFRIACADAVFGLPEAKLGIPEGLGGTQRLPGTVGPLRAKEILLTGRFILSAEECEAGVAEKLGPVHDLLAGTAELAARIAAAPPALLKLPKRVLNGLKLPLDDSLLAEREAFFAALTAEVKKTEGNFAPHKRICDFVEGGAQVPFDTALKIERESFFTHLLSGPQSRAIHVAFFAQEVAKIDGLPDTQPKRHVKKVGVLGAGTMGGGIAYSFCAKGLKVTLLDVNQAALERGLKYTEKVMEKMVAKGKMTQADMDAALALVKPTTDYGDLKDVDLVIEAVFENLEVKKEVTAKLDAVCKPHAILASNTSTLDIDEIAESTSRPQEFVGVHFFSPADKMPLVEVIRSKHTSDAVIAKVMAFAKQIGKVPVVVGNCDGFTGNRIMRPYFNEACFLVEDGASPVQIDEAIEKFGMKMGPTQLSDVAGLDIGWKIRKDVLADMGERMGLPVYIPDMLREGRLGRQTKGKGFYQYEDPAKNPLPDEVLAEYERRFGIKRDFTDEDIVRRCIFPAVNEGMRILEEGVVARPSIEDVNVYIGTGFGPTHKGGPMFYDSIGLANVENALREFYKTVGARFKPTPLLREMVAKGETLFGHLK

Ligand/Cofactor

acetyl-CoA

CC(=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

Validation Metrics

PLDDT72.7
NLMSIM60.0
AACOMP93.3
Seqdif (SeqID)55.9 (MDP6829999.1)
Structdif (F-Target)8.6 (1wdm B)

ProtNLM

NameScore
1.1.1.350.400
3-hydroxyacyl-CoA dehydrogenase0.241
5.1.2.30.088
4.2.1.170.057
Enoyl-CoA hydratase0.054
5.3.3.80.052
Designed by MP, using an AMD MI250 GPU