M00UG

Prompt

2.3.3.13

Transferases. Acyltransferases. Acyl groups converted into alkyl groups on transfer. 2-isopropylmalate synthase.

AI Generated Sequence

248 AAs
MLGFERKKEEDIINLALNLYSQGIDPKNLDYSQGLGLGELEELFEELKKLGFKEIEVGFPSASQVEYDFVRWLIEENYIPEDVYLQVLTQSREHLIKRTFEALKGAKRAILHLYNSTSVFQREIVFNKDKEGIKQIAVHGTKLIRELAAKYPETEWQFEYSPESFTSTEVSAAVEICNAVMGAWKPTENAKIINLPATVEMATPNVYADQIEWVGSNLSNRDKVFISLHTHNDRGTGVAATELGLLAG

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

PLDDT85.4
NLMSIM90.0
AACOMP92.6
Seqdif (SeqID)32.1 (WP_321037780.1)
Structdif (F-Target)21.7 (3ewb 2)

ProtNLM

NameScore
2-isopropylmalate synthase0.546
2.3.3.130.279
Pyruvate carboxyltransferase domain-containing protein0.076
Alpha-isopropylmalate synthase0.017
Alpha-IPM synthase0.013
Isopropylmalate/citramalate/homocitrate synthase (LeuA)0.008
Designed by MP, using an AMD MI250 GPU