MWWSJ

Prompt

6.2.1.19

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

AI Generated Sequence

500 AAs
MTDRQLRELLAQRADRIGVPLLYEGDRQVSYHQVVGLLGSVAAALLAEAGVRGHLTGVLDGNTPESLFNLLFAAGLAGVVPKLNVSARAAELAAHCDRVDAQRILLTDAGLAALLAGVDLVIDTDNSETARALIAAACLAAGKPHVSGADDMFMLTYFTSGTGSPKPCRICQHKALAFGVMTCAQKFGLHPGDVYYVSMPLFHNAIMALWGFGALAGGSLMLRRDFSASGFLDDVRRRGVDTFYYVGKPLSYILATQEPRDDRDNALRVAFGTEASAADIAEFTRRFGCEVVEGGFGTEGGIAIFRNPDNPVKSIGRPMPGVAVINPDTREEPCAARLDASGVLANPDGAIGELVNTPGSGRFHGYYGDPAATAKRMRHGRYWSGDLALKDADGFWYFADRATGWMRVDGENLGAAPIENVLLRHPAIEEVAVYGVPDRDVGDQVMAAIVLPPGAELDPAAFAAFLAEQRDLGPKAPRAFVRISRQLPTGATHKLVKREL

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

PLDDT79.9
NLMSIM85.0
AACOMP91.8
Seqdif (SeqID)47.4 (WP_299563582.1)
Structdif (F-Target)13.1 (3cw8 X)

ProtNLM

NameScore
Acyl-CoA synthetase0.219
6.2.1.30.142
Long-chain-fatty-acid--CoA ligase FadD170.125
AMP-binding protein0.116
Fatty-acyl-CoA synthase0.073
AMP-dependent synthetase and ligase0.043
Designed by MP, using an AMD MI250 GPU