MXBG2

Prompt

6.3.2.4

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

AI Generated Sequence

298 AAs
MKKIAVLMGGWSSEREVSLSSGQAIAAALRDRGYDVAPIDPARDLALRLKELKFDRAFIALHGRWGEDGCVQGLLEWLQIPYTHSGVMASALAMDKLRSKQIWQAAGLPVAPWVVMNRDYRVADVPLPYVVKPANEGSSVGISKVVEEAELPAAIAAWAREYDGEVLVEKFIPGRELTVGILGDRALPVTRIVPSGEFYDYEAKYLAGDSVHLCPARIDAEVYREIQRLALRAHRALGCRGWSRVDFILDDSGNFYLLEVNTSPGMTPTSLVPMAARAAGISFDELCDLILADLSGDR

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

PLDDT93.9
NLMSIM95.0
AACOMP93.3
Seqdif (SeqID)42.7 (WP_016534897.1)
Structdif (F-Target)5.3 (5nri B)

ProtNLM

NameScore
D-alanylalanine synthetase0.295
D-Ala-D-Ala ligase0.236
D-alanine--D-alanine ligase0.232
6.3.2.40.229
D-alanine--D-alanine ligase B0.001
D-Ala-D-Ala ligase B0.001
Designed by MP, using an AMD MI250 GPU