MOLO3

Prompt

6.3.2.45

Ligases. Forming carbon-nitrogen bonds. Acid--amino-acid ligases.(peptide synthases). UDP-N-acetylmuramate L-alanyl-gamma-D-glutamyl-meso-2,6-

AI Generated Sequence

499 AAs
MKLSELLKELPELKIKNLKDLEISNITYDSRKVKEGDLFICLKGVTFDGHKFIKDAIEKGAKAILCEKPLEIEVGVPNWIKVDTYKAMAVLSAAFYGFPSKKLMLIGITGTNGKTTTATLLYNIFRYLGYKVGLLSTINYKIGDEKIESDLTTPDPITLQKYLREMVDAGCEYAFMEVSSHALDQKRLYGCEFDIGVFTNLTQDHLDYHKTFENYKKAKGSLFDLLGNSKFAILNADDKHSPLMLELTKNAHKVFTYSIDSKADYKAKNLESIEGTGFDLKTPFLKDGEFKIKLFGDFNIYNLLAVLGLCGLLDVDLDKILKVIENLTGVPGRMELVTSGQFTGIVDYAHTPDSLENVLKTVREITAGKLICVVGCGGDRDKTKRPEMAKIACEKSDLVILTSDNPRFEDPMDIIDEMLAGIDPNKTYTMIPDRKEAIKFACKNAKEGDIVLIAGKGHENYQEIKGVKTHFDDREVVLEIFKELGGFKEEKENEKEEKE

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

PLDDT94.2
NLMSIM85.0
AACOMP89.3
Seqdif (SeqID)44.8 (HCD77369.1)
Structdif (F-Target)7.0 (4c12 A)

ProtNLM

NameScore
UDP-MurNAc-tripeptide synthetase0.209
Meso-diaminopimelate-adding enzyme0.198
6.3.2.130.162
UDP-MurNAc-L-Ala-D-Glu:meso-diaminopimelate ligase0.137
UDP-N-acetylmuramyl-tripeptide synthetase0.103
Meso-A2pm-adding enzyme0.094
Designed by MP, using an AMD MI250 GPU