M86BZ

Prompt

2.3.3.13

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

AI Generated Sequence

259 AAs
MTTPPIKKYRPFPVPVPLPDRTWPDATITRAPRWLSTDLRDGNQSLFIPMDPAAKWRFFDLLVKIGFKEIEVGFPSASEIDFDFVRRLIDEERIPEDTIQVVLTQAREHLIRRTFEEVGAKPRAIVHLYNSTSPFRQRIVFNLSKEGIKAIAVAGATCFKKLAAQQPDTDIVFEYSPESFDTAEVAFAKAVCDVMGVPEWTPDECAPSSLNVAHEVCATPNHFADQIEYFGHNAARRDEVILSLHSHNDGGTAVACELA

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

PLDDT81.5
NLMSIM90.0
AACOMP92.4
Seqdif (SeqID)42.4 (MDB5949554.1)
Structdif (F-Target)23.6 (3ewb 2)

ProtNLM

NameScore
2-isopropylmalate synthase0.744
Pyruvate carboxyltransferase domain-containing protein0.121
2.3.3.130.100
Isopropylmalate/homocitrate/citramalate synthase0.007
Homoaconitate hydratase0.003
Isopropylmalate synthase0.002
Designed by MP, using an AMD MI250 GPU