MCTM3

Prompt

4.2.3.4

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

AI Generated Sequence

382 AAs
MTRKSVWIKADEGGWEAQKERITAGLEAGADWVLVNPGDVEKVRELGNITVAAFARDADGHVVGKKGEGDGEGDGKGTIPLPQDFSFDIAAATLRTKGVPVAGGYVRIKDKDYEQFAAEMGKVCDYTLIVGTDWQVIPLENLIADRLQHETKLIFGVKTAEEARLAFQTLETGADGVLLDSGDPQEIKDTAAVREQADEESTDLVYATVTKVEQVGMGDRVCVDTCNLMQRGEGMLIGSQSSGMFLVHAESEDSPYVASRPFRVNAGAVHAYIRTGGKTRYLSELKAGDEVTIVDSKGHQREAIVGRVKIESRPLMLIEAKADGTTITAILQNAETIKLVAPGGGAISVTKLKKGDEVLVRLEEGARHFGKAIEETIIEKGG

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

PLDDT84.0
NLMSIM85.0
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