M3RNO

Prompt

2.3.3.13

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

AI Generated Sequence

550 AAs
MLKNPSYKYRPFTPIKLPDRQWPNKVITKAPIWCSVDLRDGNQALIIPMNLEEKLEFFKLLVKIGFKEIEVAFPSASETEFDFVRTLIEEKMIPDDVTIQVLTQSREHIIKKTFESLKGAKKAIVHLYNSTSVAQRFIVFQKSKEEIKKIAVDGAKLLKELCAKYPETNWQFEYSPESFSTTEVDFALEVCNAVMDVWQPTADNKAIINLPATVEMATPHVFADQIEYFGRNMHYRDHVVISLHPHNDRGTGVASAELGLLAGADRVEGTLFGNGERTGNVDIVTLALNMYTHGVDPGLDFSNMNRVIETVERATQLKVHPRHPYAGELVFTAFSGSHQDAIKKGLDAQKKKNDAIWEVPYLPIDPKDLGRSYEAVIRVNSQSGKSGVAWIIEQNYGLKLPKRMHADFSHHVKQLTDTTHKELNADEIWNIFEKTYNLQNAPFAFVDYHQFTQNGEIRFEAHIKMNGETVTISGHGNGRLDSVANALRLYFGVPLSVVKYSEHSLGHGSNSQAVAYVELQVGNGKTVWGVGIDHDIVTASIKALVSAVNR

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

PLDDT90.3
NLMSIM95.0
AACOMP94.5
Seqdif (SeqID)35.0 (WP_184167792.1)
Structdif (F-Target)7.2 (3u6w A)

ProtNLM

NameScore
2.3.3.130.268
2-isopropylmalate synthase0.267
Alpha-IPM synthase0.241
Alpha-isopropylmalate synthase0.219
Pyruvate carboxyltransferase domain-containing protein0.000
Isopropylmalate isomerase0.000
Designed by MP, using an AMD MI250 GPU