MU01Q

Prompt

6.2.1.19

Ligases. Forming carbon-sulfur bonds. Acid--thiol ligases. long-chain-fatty-acid--protein ligase.

AI Generated Sequence

541 AAs
MSDRERLLAQRAARHGVPLLEFEGRRWSVRHAVGELGSRAAALLAEAGARGRIGVLDGNTEPELFALLFGAALAAGVPKPLNVTARAAELAAHCVRADAERILLTDAAHAALLAGADLDVVVDTDSFATRALIAAACAAAGVPHVSAADRMFLLTYFSGTSGPKPACRICHQKLARFGAATCARFGLTPGDVCYVSMPLFHNAAIVAAWGVALAAGGSLMLRSFSASGFLRDVRRRGVDTFIYVGKPLQYILATPEPRPDRDTPLRVAFGTEAAAADIAEFTRRFGCTVVEGGFGSEGGVAVFRNPDNPVRSIGRMLPGVAVIDPDTAREPCAVDLDASGRVANPDGAIGYLVTPGSGGRFEGYYGDPAATAARMRHGRYFSGDLARDAADGWFYFADRATGWIRVDGENLGAAPIERILARHPAIETVAVYGVPDRAAGDVMAAALVLRPGADLDPAAFAAHLAAQPDLGPKAPRRFRIVDQLETGATHKVVKRQLRQIGARCGDDVYWIDRDGRGYVPVFDRDRAALAAEFRRHGARML

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

PLDDT76.8
NLMSIM85.0
AACOMP87.4
Seqdif (SeqID)51.1 (WP_184870335.1)
Structdif (F-Target)10.3 (3dlp 2)

ProtNLM

NameScore
Long-chain-fatty-acid--CoA ligase FadD170.156
6.2.1.30.152
Acyl-CoA synthetase0.116
AMP-binding protein0.106
Long-chain fatty acid--CoA ligase0.102
Fatty-acyl-CoA synthase0.035
Designed by MP, using an AMD MI250 GPU