M4VWR

Prompt

6.2.1.47

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

AI Generated Sequence

500 AAs
MTTVAELLAERAGDDRPGLLFEDRFVTWREHVAEASARAAALLARLDPGRPLHVGVLLDNTPEFLALMAAAGLGGYVPCGLNPTRRGAELARDIRHADCQVLLTDAEHLPLLDGLDLGVTFVNTSDPAWAALVAGAAELPVHREVAPDDLFMLIFTSGTSGEPKAVRCSHGKMAFAGMSLAERFGLTRDDVCYVSMPLFHSNALVAGWAVALAAGASMALRRKFSASGFLDDVRRYGATYMNYVGKPLSYILATPERPDDADNPLRVAFGNEASARDIAEFTRRFGCVVEDGYGSTEGGVAITRTPDTPKGSIGRGLPGVAIYNPETRRECPAAVFDANGRLANAAEAVGELVNTRGSGRFEGYYKDPAATAERMRGGMYWSGDLAYRDADGWIYFAGRTGDWIRVDGENLGAAPIERILLRHPDVAEVAVYGVPDPRVGDQVMAAIVLRPGAELDPAAFAAFLAGQPDLGTKQWPRFVRIAEQLPVTGTNKVLKRELQA

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

PLDDT92.1
NLMSIM60.0
AACOMP90.9
Seqdif (SeqID)30.1 (WP_324389407.1)
Structdif (F-Target)11.4 (3cw8 X)

ProtNLM

NameScore
Acyl-CoA synthetase0.552
Fatty-acyl-CoA synthase0.093
Long-chain-fatty-acid--CoA ligase FadD170.087
6.2.1.30.076
AMP-binding protein0.073
Long-chain fatty-acid--CoA ligase FadD170.016
Designed by MP, using an AMD MI250 GPU