M3ITC

Prompt

6.3.4.4

Ligases. Forming carbon-nitrogen bonds. Other carbon--nitrogen ligases. adenylosuccinate synthase.

AI Generated Sequence

485 AAs
MTNVVVVGAQWGDEGKGKIVDWLSERADVVVRFQGGHNAGHTLVIDGETYKLSLLPSGIVRGTKLVIGNGVVLDPWAFRAEIDGLRAQGVDITPENLMIAENAPLILSLHRELDGLREAAASAGGTKIGTTGRGIGPAYEDKVGRRAIRVADLADLDTLPAKVDRLLTHHDALRRGLGIEEVDREALLAELTAIAPRILPFMATVWRLLDEKRRAGKRILFEGAQGALLDIDHGTYPFVTSSNTVAGQAAAGSGLGPGALGYVLGITKAYTTRVGEGPFPTELDDEIGQFLGERGREFGVVTGRKRRCGWFDAVLVRQSVATSGITGIALTKLDVLDGLDEIKICVGYRLDGEEIDYLPASQGAQARVEPIYETLEGWKGSTAGARSWADLPAQAIKYVRHIEELIGAPVALLSTSPERDDTILVTDPFEDPAALAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA

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

PLDDT94.5
NLMSIM70.0
AACOMP87.6
Seqdif (SeqID)14.6 (WP_306410510.1)
Structdif (F-Target)3.3 (1cg3 2)

ProtNLM

NameScore
AMPSase0.240
IMP--aspartate ligase0.214
6.3.4.40.189
Adenylosuccinate synthetase0.189
AdSS0.163
Adenylosuccinate synthase0.000
Designed by MP, using an AMD MI250 GPU