MOXSS

Prompt

6.2.1.3

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

AI Generated Sequence

500 AAs
MTTLTELLRRRAADTDRAILYEGERWTWREHVEAAAARAAALLADLGVDRPRHVGALLGNTPEMVLLLAGAALSGVVLVGINTGLRGAALAHDIRHADCQLIVTDAEHRALLDGLDVDGVRLVDTSPAWAAELARVPGAVPFRPVEPDDAFMLIFTSGTTGDPKAVRCSHQKLAKGVMTLAQRFGLTPDDVCYLSMPLFHSNAMVAGWAVALAAGASIALRRFSASRFLDDVRRYGATYMNYVGKPLSYILATPERPDDDENPLRVAFGNEAGRADIEEFRRRFGVELVDGFGSTENGIAITRTPDTAPGSLGRGLGGVALIDPETAECPPARFDDDGAVLNPDGAVGELVNTVGTGRFQGYYKNPEATAERMRDGMYHSGDLGYRDADGWIYFAGRTADWMRVDGENLAAAPIERVLLRHPDITRVAVYGVPDPRVGDQVMAAVVLREGAELDPAAFARFLAEQPDLGPKQWPRYVRITRDLPRTATHKILKRPLVREG

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

PLDDT90.2
NLMSIM70.0
AACOMP90.8
Seqdif (SeqID)34.4 (WP_102142010.1)
Structdif (F-Target)12.1 (3cw8 X)

ProtNLM

NameScore
Acyl-CoA synthetase0.396
6.2.1.30.113
Long-chain-fatty-acid--CoA ligase FadD170.103
Fatty-acyl-CoA synthase0.097
AMP-binding protein0.095
Long-chain fatty acid--CoA ligase0.019
Designed by MP, using an AMD MI250 GPU