M02TE

Prompt

6.2.1.30

Ligases. Forming carbon-sulfur bonds. Acid--thiol ligases. phenylacetate--CoA ligase.

AI Generated Sequence

435 AAs
MTELLPPPDLAPIETASRDELRALQLERLRWTLRHAYENVPHYRRSFDAAGVHPDDLRTLDDLARFPFTTKADLRDNYPFGMFAVPREQVARIHASSGTTGRPTVVGYTANDLDTWADVVARSIRAAGGRPGDKVHVAYGYGLFTGGLGAHYGAERLGCTVIPMSGGMTERQVQLIRDFRPEIIMVTPSYMLAILDEFERQGIDPRATSLRVGIFGAEPWTEAMRAEIEARFDIHAVDIYGLSEVMGPGVAQECVETKDGPTIWEDHFYPEIVDPETGEVLPDGELGELVFTSLTKEALPVIRYRTRDLTRLLPGTARPMRRMAKITGRSDDMLILRGVNVFPTQIEEQVLKTRGLAPHYQIVLTRDGRLDAMTVRVEARPEAVDAAAAAALAAELQHRIKDTIGVSTAVEVLEPGGLERSEGKARRVVDNRPKA

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

PLDDT88.3
NLMSIM85.0
AACOMP92.2
Seqdif (SeqID)20.3 (WP_141854427.1)
Structdif (F-Target)6.0 (2y4n A)

ProtNLM

NameScore
Phenylacetate-coenzyme A ligase0.359
Phenylacetyl-CoA ligase0.354
6.2.1.300.273
Phenylacetate--CoA ligase0.004
Phenylacetate-CoA ligase0.003
AMP-binding protein0.001
Designed by MP, using an AMD MI250 GPU