M912U

Prompt

4.1.3.4

Lyases. Carbon-carbon lyases. Oxo-acid-lyases. hydroxymethylglutaryl-CoA lyase.

AI Generated Sequence

295 AAs
MSPEKVKIVEVGLRDGLQNEKTIVPTDAKIELIDRLSATGFTTIEAGSFVSPKAVPQLADSAEVMKGIARVPGVRYSALVPNLKGAERALAAGADEVAVFASASETFSQKNINCSIDESMERFAPVLDRAKAKGVRVRGYVSTVLGCPYEGDVPPEKVAAVARELYDMGCYEVSLGDTIGVGTPGQVAEMLDAVMAEVPADQVAVHFHDTYGQALANIYAALQQGIRTFDSSIAGLGGCPYAKGAAGNVATEDVVYMLNGLGIETGVDLDKLAKAGRWCAEVLGRNPSGKVAQAR

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

PLDDT95.2
NLMSIM70.0
AACOMP92.0
Seqdif (SeqID)29.1 (WP_028878535.1)
Structdif (F-Target)2.2 (2cw6 A)

ProtNLM

NameScore
4.1.3.40.593
Hydroxymethylglutaryl-CoA lyase0.372
4.1.3.260.011
3-hydroxy-3-isohexenylglutaryl-CoA/hydroxy-methylglutaryl-CoA lyase0.004
Isopropylmalate/homocitrate/citramalate synthase0.002
3-hydroxy-3-methylglutarate-CoA lyase0.002
Designed by MP, using an AMD MI250 GPU