MHFJM

Prompt

6.3.2.4

Ligases. Forming carbon-nitrogen bonds. Acid--amino-acid ligases.(peptide synthases). D-alanine--D-alanine ligase.

AI Generated Sequence

308 AAs
MSKHVAVLMGGWSSEREVSLSSGQACADALREAGYEVTRIDVGRDVAAVLAELKPDVVFNALHGPFGEDGTIQGVLELMGIPYTHSGVLASALAMDKERAKLVARAAGVPVAEAVVMDRFAVMAEHPMPPPYVIKPVREGSSFGVVIVREGQSHPPQIVLSSEWRYGDEVMVERFIPGRELTCAVMGDVALGVTEIVPVGHGFYDYDSKYAAGGSRHVIPAEIPPNIYQKIQTLALRAHQAIGCRGVSRSDFRYDDRFSHDDGLVIWLEVNTQPGMTPTSLVPEMAAHAGISFGELVRWMVEDASCLR

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

PLDDT93.1
NLMSIM95.0
AACOMP91.8
Seqdif (SeqID)17.0 (MDE1158290.1)
Structdif (F-Target)7.5 (4c5b A)

ProtNLM

NameScore
D-alanylalanine synthetase0.296
D-alanine--D-alanine ligase0.252
D-Ala-D-Ala ligase0.231
6.3.2.40.215
D-alanine--D-alanine ligase B0.001
D-alanine--D-alanine ligase A0.000
Designed by MP, using an AMD MI250 GPU