M7YJD

Prompt

1.4.1.24

Oxidoreductases. Acting on the CH-NH2 group of donors. With NAD(+) or NADP(+) as acceptor. 3-dehydroquinate synthase II.

AI Generated Sequence

387 AAs
MTKSVWLKADDAVGDWEQRKRRITTGLESGVDWVLVDPADVERVRELGRINVAAFRTDADHMADEEEEEGEEAEAAGADFIVGKKGDVDLPPDFSGSADLTALRRDGVATGAYVRIRDKEYEHFAAAMARAADYTIVVGEDWKIIPLENLIARIGQETKLIAGVTSADEARTAFETLEIGADGVLLDSDDPQEIRKTMAVRDQVRKESLELTYATVTGIEQVGSGDRVCVDTGSLMQHDEGMLVGSMASGLFFVHAESAESPYVASRPFRVNAGAVHAYVRTPGGKTKYLSELASGDEVQIVDAKGHTREAVVGRVKIERRPMFRVEAEVDGTRLSTILQNAETIKVATAGGRPSVTDLKPGDKVLVYLEGGARHFGAKVEESIIEK

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

PLDDT86.5
NLMSIM80.0
AACOMP91.3
Seqdif (SeqID)27.4 (WP_103991576.1)
Structdif (F-Target)21.3 (6wvs A)

ProtNLM

NameScore
DHQ synthase0.408
3-dehydroquinate synthase0.212
3-dehydroquinate synthase II0.201
1.4.1.240.121
4.2.3.40.023
4.1.99.-0.002
Designed by MP, using an AMD MI250 GPU