MV4XM

Prompt

6.2.1.19

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

AI Generated Sequence

534 AAs
MTDLLRRQLARLRPDRVALLEGDRFSWHEHVLAGLAARAALLAQRVGARGRHIGVLLDNTEPSMLLLGLAAGLSGVLPKVNATRRGAALADCIDVDAEQLLLTDPAHAALLDGLDVDLVLVDTDTPATYRRIAAHADALPRPSVAGADGFMIYFTSGTTGEPKAVRCHQRIAKPGMTTSEQFGLGPDDVCYLTMPLFHNAAVLAGWVPALAAGASIALRSFSASRFLDDVRRRDATYINYVGKPLSYILATPERPDDADNHLRVAFGNEAARADIDAFRERFGCTLVEGFGSTEGGIAWVRVPDTPVGSLGRPLDGVALLNPDGTERCPARDFDDNGALVNPRGAIEGLVTTGGGGRFRGFYDNPAATAERMRDGRYRSGDLLGRDADGFAYFAGRAADWMRVSGENLAAAPIERVLARHPDITRVAVYGVPDDRVGDKVMAAVVLREDADLDPAAFAAFCAAQPDLGPKAWPRYLRVTADMPTAGTHKLVKRELREQGVDCVGDDVYWTRGRDVPYRDFDERRAALLDEGYRR

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

PLDDT77.6
NLMSIM70.0
AACOMP89.1
Seqdif (SeqID)44.5 (HEX5770334.1)
Structdif (F-Target)12.1 (3dlp 2)

ProtNLM

NameScore
AMP-binding protein0.147
Long-chain-fatty-acid--CoA ligase FadD170.136
Acyl-CoA synthetase0.116
6.2.1.30.114
Fatty-acyl-CoA synthase0.055
Long-chain fatty acid--CoA ligase0.046
Designed by MP, using an AMD MI250 GPU