MUVE8

Prompt

6.2.1.37

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

AI Generated Sequence

499 AAs
MNFVADFLARNAARHGDRTALVDAARTLTYGELQRRANRVANALLRRLGVRRGDRVALLMRDSVEFPVAFLAALRAGVVPVPLNTRLRPADYAYILADSDARALVVSAELLPRVDAVLADCPALRTVVVAGDAAALAAAAAAPAPAPAAAWLYTSGSTGRPKGVVHTHANLAAAAAYGAAVLGLAPDDVCLSAAPLFFAYGLGNVLNFPLAAGATVVLAERPTPAAVLAAIARHRPTVLFGVPTLYARLLAHPAAAAADLSALRLCASAGEALPAAVLARWRAATGCAILDGIGSTEMLHIFLSHRPGDARRPGSTGRPVPGYEVRLVDAAGRPVPDGEVGELYVRGPSTAAGYWGNRAKTAATFRDGWLRTGDRYVRDADGYYTYAGRSDDMLKVSGVNVSPVEVEAALAAHPAVAEAAVVGVPDAAWGERPVAFVVLRPGAAAAAAAALRAHVRARLAPYKYPREIEFVAELPRTATGKVQRFRLRAAAAAAAAAAA

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

PLDDT93.0
NLMSIM60.0
AACOMP82.2
Seqdif (SeqID)43.6 (HEX3633624.1)
Structdif (F-Target)7.3 (4fut A)

ProtNLM

NameScore
4-hydroxybenzoate--CoA ligase0.295
Benzoate-CoA ligase family protein0.175
Benzoate-CoA ligase0.134
6.2.1.250.045
2-aminobenzoate-CoA ligase0.034
AMP-binding protein0.029
Designed by MP, using an AMD MI250 GPU