MGE4A

Prompt

6.2.1.47

Ligases. Forming carbon-sulfur bonds. Acid--thiol ligases. medium-chain-fatty-acid--[acyl-carrier-protein] ligase.

AI Generated Sequence

543 AAs
MTTVAQLLADRAGDDDRGFLFEGRQWTWREHVAESAARAAALRAALDPGRPLHVGVLLDNTPEFLALMAAAGLGGYVPCGLNPTRRGAELARDIRHADCQVLLTDEAHLPLLDGLDLGVQFVNTSDAAWAAELAAHAEPLPVHREVAPADLFMLIFTSGTSGEPKAVRCSHGKMAFAGMSLTQRFGLTRDDVCYVSMPLFHSNALVAGWAVALAAGATMALRRKFSASGFLPDVRRYGATYFNYVGKPLSYILATPERPDDADNALRVAFGNEAAPRDIAEFTRRFGCEVLEGFYGSEGGVAITRTPDTPKGSLGRGLPGVAIYNPDTVAECPAATFDAHGCLANAPEAVGELLNTAGSGPFEGYYKNPAATAERMRHGAYWHSGDLARDADGWIYFAGRLGDWIRVDGENLGAAPIERILLRHPAVAEVAVYGVPDPRVGDQVMAAIVLRDGAELDPAAFAAFLAAQPDLGPKAQPRFVRIASELPVTGTNKVLKRELQAQGWKCGDDPVYWIRGRDAAYVPLTEADVAALAAGFRRRGERY

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

PLDDT87.1
NLMSIM60.0
AACOMP90.0
Seqdif (SeqID)32.8 (WP_324389407.1)
Structdif (F-Target)9.1 (3dlp 2)

ProtNLM

NameScore
Acyl-CoA synthetase0.498
Fatty-acyl-CoA synthase0.106
Long-chain-fatty-acid--CoA ligase FadD170.101
6.2.1.30.082
AMP-binding protein0.077
Long-chain fatty-acid--CoA ligase FadD170.016
Designed by MP, using an AMD MI250 GPU