MDVG1

Prompt

6.2.1.2

Ligases. Forming carbon-sulfur bonds. Acid--thiol ligases. medium-chain acyl-CoA ligase.

AI Generated Sequence

499 AAs
MSINPLHELLAQSAAQAPDRPALIDGSGRRLTYAELDALSNRLAALLRELGVRKGDRVAVLLENCLEFVVTFLAVSRAGAVAVPLNPLYRAEELEFHLEDSDAALLLTGAGNPAAVRAAAAAAGLPAVVAYDDAAAPGEALAFDPAAVDPDDVAVILHTSGTTGLPKGVMLTHRNLAASVAMIADDYGLTPDDRVLLVMPLFHVHGLLVSLLSCLVAGATVLVMPARFSASTFLDDLARHRVTWMAVVPTMHQLLAARPVAEPDLSPLRMFRCSGASLPAPVLEAFERTFGAPVLEAYGMTEAHPQMTLNPLDPRRRKPGSVGAPVGPAEVRIVDEDGREVGPGQEGEIIVRGPNVTKGYLNNPEANAATIRDGWFHTGDLGYFDEDGFLHITGRVKELINRGGEKISPVEVDAVLIAHPAVAEAAVFGVPDERYGEEVAAAVVLRPGAELTEAELRAHCAANLAKYKRPRRFFVVDALPRTATGKIQRRVLADALAAG

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

PLDDT93.7
NLMSIM60.0
AACOMP89.8
Seqdif (SeqID)48.6 (THU60236.1)
Structdif (F-Target)8.6 (4fut A)

ProtNLM

NameScore
AMP-dependent synthetase0.334
AMP-binding protein0.138
Long-chain-fatty-acid--CoA ligase0.125
Acyl-CoA synthetase (AMP-forming)/AMP-acid ligase II0.096
Long-chain fatty acid--CoA ligase0.044
6.2.1.30.042
Designed by MP, using an AMD MI250 GPU