M4V5Z

Prompt

1.1.1.36

Oxidoreductases. Acting on the CH-OH group of donors. With NAD(+) or NADP(+) as acceptor. acetoacetyl-CoA reductase.

AI Generated Sequence

244 AAs
MARVALVTGGTRGIGEAISLRLKADGYKVAANYAGNDEKARAFTEETGITAYWKDNVDYESCVAGIKKTEAELGPVDILVNNAGITRDATFHKMTPDQWDEVIRTNLSGLFNMTKPVWNGMRERKFGRIVNISSINGQKGQFGQANYAAAKAGDMGFTKALAQEGAAKYGITATVAPGYIGTEMVKAVPEEVLKKIVAQIPVGRLGEPEEVARGVVFLASEESGFITGSTFAINGGQYMGIWNG

Ligand/Cofactor

NAD(+)

C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N

Validation Metrics

PLDDT92.6
NLMSIM75.0
AACOMP90.0
Seqdif (SeqID)24.2 (WP_040962035.1)
Structdif (F-Target)4.0 (4nbu D)

ProtNLM

NameScore
Beta-ketoacyl-ACP reductase0.325
Acetoacetyl-CoA reductase0.293
1.1.1.360.220
3-oxoacyl-[acyl-carrier-protein] reductase /acetoacetyl-CoA reductase0.060
3-oxoacyl-[acyl-carrier-protein] reductase0.047
3-oxoacyl-ACP reductase0.010
Designed by MP, using an AMD MI250 GPU