M1C18

Prompt

6.2.1.20

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

AI Generated Sequence

500 AAs
MTTVAELLRERAGDTDRPLRYEGGVSWTWREYLEDSAALAALLAARDPAPRPLHVAALLGNTPEFTALLAAASLGGVYVPPLNTVRRGAELARDIRRADCELILTDAAHRALLDGLDLPGVRVLDTSAWAAELAAAPAELTPHRAVLPADPFMLIFTSGTSGEPKAVQCSHGKLVAFGRMLAERFGLRPGDVCYTSMPLFHANAVVAWGVPALAAGASMALPRFSASGFLPDVRRYGATYMNYVGKPLAYVLATPEQRDDADNPLRVAFGNEADPRDIAEFARRFGCELFEGFGSTEANVAIVTRPDTPKGSLGRPGPGVAIIDHATARDCPPARFDADGALLNADGAIGELVNTAGPGRFEGYYRHPAATAERMRGGWYHSGDLVYRDADGWLYFAGRAGDWMRVDGENLGAAPIERVLLRHPAVAAAAVYAVPDERTDGVMAAALVLRDGAELDPAAFAAFLAAQPDLGPKQWPRYVRIAADLPRTATFKVLKRELAA

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

PLDDT90.1
NLMSIM85.0
AACOMP88.1
Seqdif (SeqID)35.7 (WP_324389407.1)
Structdif (F-Target)10.4 (3cw8 X)

ProtNLM

NameScore
Acyl-CoA synthetase0.478
AMP-binding protein0.124
Fatty-acyl-CoA synthase0.113
6.2.1.30.086
Long-chain-fatty-acid--CoA ligase FadD170.071
AMP-dependent synthetase and ligase0.015
Designed by MP, using an AMD MI250 GPU