M8PMA

Prompt

4.2.3.4

Lyases. Carbon-oxygen lyases. Acting on phosphates. 3-dehydroquinate synthase.

AI Generated Sequence

387 AAs
MTKSVWLKADDAVGDWEQRKRRITTGLESGVDWVLVDPADVERVRELGRINVAAFRTDADHMADEEEEEGEEAEAAGADFIVGKKGDVDLPPDFSGSADLTALRRDGVATGAYVRIRDKEYEHFAAAMARAADYTIVVGEDWKIIPLENLIARIGQETKLIAGVTSADEARTAFETLEIGADGVLLDSDDPQEIRKTMAVRDQVRKESLELTYATVTGIEQVGSGDRVCVDTGSLMQHDEGMLVGSMASGLFFVHAESAESPYVASRPFRVNAGAVHAYVRTPGGKTKYLSELASGDEVQIVDAKGHTREAVVGRVKIERRPMFRVEAEVDGTRLSTILQNAETIKVATAGGRPSVTDLKPGDKVLVYLEGGARHFGAKVEESIIEK

Ligand/Cofactor

ATP

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N

Validation Metrics

PLDDT86.5
NLMSIM85.0
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