M2NEL

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

500 AAs

MTKKVALVTGGTGGIGAAICKALADAGYTVAANYCPNAEKAKALEAEMKAAGYDFYVYKVNVADYDACKAAVAKVEAELGRVDILVNNAGITRDATFHKMTREDWDKVIDTNLTSVFNVTKPVIDGMIERKFGRIINISSVNGLKGQFGQTNYSAAKAGIHGFTKSLAQEGATKGVTVNTVSPGYIGTEMVMAIRPEVLKSIIAQIPVGRLGKPEEIARAVVFLCADESAFVTGATFNANGGQYFMGWNDTTMKFDLRGHEGAIKATHEKVLNGVNVWYPTFGEHGAENLLEMYRDGKKVAITGGMTGLGTAICVQLAKDGATVIANYCPGNAEAAKAVEEMKAKGYDVIVNNAGITRDATFKKMTKEDWDAVIDTNLNGVFNCTKPVWDGMIERGFGRIVNISSINGQKGQFGQTNYAAAKAGIHGFTKSLALEGATKGVTVNAISPGYIGTEMVRAIRPEVLKEIIAPIPVGRLGKTPEEIARGVAFLCADDAGYFTG

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

PLDDT	86.7
NLMSIM	60.0
AACOMP	89.6
Seqdif (SeqID)	33.3 (WP_174874554.1)
Structdif (F-Target)	18.6 (2et6 A)

ProtNLM

Name	Score
1.1.1.36	0.386
Beta-ketoacyl-ACP reductase	0.132
3-oxoacyl-[acyl-carrier-protein] reductase	0.097
Acetoacetyl-CoA reductase	0.091
3-oxoacyl-[acyl-carrier-protein] reductase /acetoacetyl-CoA reductase	0.060
1.1.1.100	0.060