MB6Z9

Prompt

6.2.1.37

Ligases. Forming carbon-sulfur bonds. Acid--thiol ligases. 3-hydroxybenzoate--CoA ligase.

AI Generated Sequence

570 AAs
MTLPLPEGFNAVGHLIERNAARGGDRTALIEGAGTLTYAELQARVNRFANGLRALGVRRGDRVLLLMPNSVDFPVAFLGALLLGAVPVPLNTTLRAADLAYILKDSGARALVCSAAFLPLVEAVRAGLPGLRHVVVIGDAAALPGALALAAALAAAAAPFAPAATGPDDTAWLLYSSGTTGKPKGVVHTHRNLAAWAESYGRRVLGIGPDDVFLSVAKLFFAYGLGNVLAFPLSVGATAVLMPAAFTPAAVFAAIRAHRPTVLYGVPTVYALMLAAPAAAAPFDLAALRLCTSGGEALPPAVFARWRATFGCEILDGIGSTEMLHIFLSNRPGDAIRPGTAGRPVPGYAVRIVDAAGRPVPAGEIGDLYIRGPSTAAFYGNRAAKTAETFAGDWLRTGDLYARDADGFTYTAGRSDDMLKVSGVWVSPVEVEAALLAHPAVLEAAVVGVPDAAGERVKAAFVVLRPGAALAAAAAAAAAALLDHVRARLAPYKYPRRIAFVDALPKTATGKIQRFVLRERAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA

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

PLDDT92.9
NLMSIM60.0
AACOMP80.3
Seqdif (SeqID)44.5 (MBX9964533.1)
Structdif (F-Target)6.3 (4wv3 B)

ProtNLM

NameScore
Benzoate-CoA ligase family protein0.499
Benzoate-CoA ligase0.242
4-hydroxybenzoate--CoA ligase0.162
Benzoate-CoA ligase family0.034
Benzoate--CoA ligase0.018
6.2.1.250.008
Designed by MP, using an AMD MI250 GPU