M3N28

Prompt

2.3.3.13

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

AI Generated Sequence

279 AAs
MAGFDYSKYPAFPQIGLNDRQWPDKTITKAPRWCSVDLRDGNQALIDPMDGEQKLRFFDLLVKMGFKEIEVGFPAASDTDFDFVRGLIEDGRIPDDVTVQVLTQAREDLIRRTFEAAEGAKRAIVHLYNSTSALQRRIVFDMDKAGIKEIAVTGAKLVQDTAAKQPDTNWRFEYSPETFSTAELDFAVEVCFAVAEVVQPTPENKPMIFSLATVEAATPNVYADQIEWFGRNLSNRDEVVISLHTHNDRGTGVAAAELGMLAGADRVEGTLFGNGERTG

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

PLDDT87.5
NLMSIM85.0
AACOMP93.6
Seqdif (SeqID)25.3 (WP_025561066.1)
Structdif (F-Target)18.9 (3ewb 2)

ProtNLM

NameScore
2-isopropylmalate synthase0.619
2.3.3.130.305
Pyruvate carboxyltransferase domain-containing protein0.038
Alpha-isopropylmalate synthase0.015
Alpha-IPM synthase0.010
Isopropylmalate/homocitrate/citramalate synthase0.002
Designed by MP, using an AMD MI250 GPU