MRSI0

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
MTTIAELLRPRAADADRGLRFGDRFVTWREHLAEAAALAAALRARLDPARPLHVGALLGNTPEFLALMAAAGLGGYVLCGLNPTRRGAALARDIARADCELILTDAAHLPLLDGLDLAGVRIVDTDSPAWAALLAAAGELAPHRAVAPADTFMLIFTSGTSGEPKAVRCTHGMLAFAGATLVDRFGLTAADVCYLSMPLFHSNAVAAGWAVALCAGAAMAPRRFSASGFLPDVRRYGATYMNYVGKPLSYILATPERPDDADNPLRVAFGNEAVDADIARFAARFGCTLVDGFGSTEGNVAITRTPDTPPGSLGRPLPGVAIYDPATRTACPAARFDADGALLNADEAVGELVNTAGAGRFAGYYHDPAATAERMRGGWYWSGDLAYRDADGWLYFAGRTGDWLRVDGENLAAAPIERILLRHPAVAVAAVYAVPDERVGDQVMAALVLRDGAELDPAAFAAFLAAQPDLGPKAWPRYVRIAADLPRTATFKVLKRELAA

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

PLDDT91.7
NLMSIM60.0
AACOMP85.8
Seqdif (SeqID)28.3 (WP_324389407.1)
Structdif (F-Target)12.4 (3l8c B)

ProtNLM

NameScore
Acyl-CoA synthetase0.483
Fatty-acyl-CoA synthase0.125
6.2.1.30.102
Long-chain-fatty-acid--CoA ligase FadD170.075
AMP-binding protein0.068
AMP-binding enzyme family protein0.013
Designed by MP, using an AMD MI250 GPU