MI0FO

Prompt

6.2.1.20

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

AI Generated Sequence

499 AAs
MTTVGELLAARAADGDRPALYGDGRQWTWREHLAAAAAAAALLRAAGVAPRPPHVGVLLGNTPEFLAALGAAALAGIVLVPLNTTRRGAALARDIARADCQLLLTDAAHAALLAGLDLPGVTVLVDGAAEWAALAAPAGALTPFRAVAAADPFMLIFTSGTSGEPKAVQCSHLKLAFPGRMLTERFGLAAGDVCYLSMPLFHSNAVLAGWGVALAGGAAMALARFSASGFLPDVRRYGVTYANYVGKPLSYILATPERPDDADNPLRVMFGGEAAPRDIAAFARRFGCVVQDGYGSTEGGVAIVRTPGTPAGAVGPGFAGVAIYDPATGAACAPARFDAAGALVNADGAIGELVNTAGAGTFAGYYNDAAATAERLAGGMFHSGDLVYRDAAGFLYFAGRAGDWMRVDGENLAAAPIERILLRHPGVAEAAVYAVPDPRVGDQVMAALVLAPGAAFDPAAFAAFLAAQPDLGPKAWRPYVRVAAALPRTATFKVLKRAL

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

PLDDT90.3
NLMSIM60.0
AACOMP83.6
Seqdif (SeqID)33.8 (WP_066855162.1)
Structdif (F-Target)10.6 (1t5h 2)

ProtNLM

NameScore
Acyl-CoA synthetase0.253
Long-chain-fatty-acid--CoA ligase FadD170.142
6.2.1.30.138
Fatty-acyl-CoA synthase0.112
AMP-binding protein0.074
Long-chain fatty acid--CoA ligase0.048
Designed by MP, using an AMD MI250 GPU