MJXLQ

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

382 AAs
MTRKSVWIKADEGGWEAQKERITAGLEAGADWVLVNPGDVEKVRELGNITVAAFARDADGHVVGKKGEGDGEGDGKGTIPLPQDFSFDIAAATLRTKGVPVAGGYVRIKDKDYEQFAAEMGKVCDYTLIVGTDWQVIPLENLIADRLQHETKLIFGVKTAEEARLAFQTLETGADGVLLDSGDPQEIKDTAAVREQADEESTDLVYATVTKVEQVGMGDRVCVDTCNLMQRGEGMLIGSQSSGMFLVHAESEDSPYVASRPFRVNAGAVHAYIRTGGKTRYLSELKAGDEVTIVDSKGHQREAIVGRVKIESRPLMLIEAKADGTTITAILQNAETIKLVAPGGGAISVTKLKKGDEVLVRLEEGARHFGKAIEETIIEKGG

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

PLDDT84.0
NLMSIM60.0
AACOMP91.7
Seqdif (SeqID)23.8 (WP_011033219.1)
Structdif (F-Target)24.8 (3qh2 A)

ProtNLM

NameScore
DHQ synthase0.354
3-dehydroquinate synthase II0.199
1.4.1.240.198
3-dehydroquinate synthase0.191
4.2.3.40.020
4.1.99.-0.003
Designed by MP, using an AMD MI250 GPU