MYPJY

Prompt

6.2.1.18

Ligases. Forming carbon-sulfur bonds. Acid--thiol ligases. citrate--CoA ligase.

AI Generated Sequence

500 AAs
MTDLERYLRRQALRFPDRAQAILGDRRVLVYGAGGLGAAVALYLAAAGVGEVTLVDFDDVSVNQLNQIFFAAAAAGVMPKVALAPRLRADIDAHVEVEAHAVVLTDANALALLPGADLVVDATDDFATRYLVNAACVRAGVPLVSGAALRGEGQPVTVYPGDAPCLYCFSGTTGPKGVASSTHYNLLATLQAIGFWQALAEDVRLATGGLPFTSHLLMLDALTMGFRATVAVLRRPDFAACGAALAAHLGVTEHFCVPTLFARLPDPAPLAAYDLARLRMVAGGAEVLPEVEFETIRAWPGCRLVPYGQTETAVGVPALPADAPRHRCVGRNSPGVELALVDAAGHPALPGGEIGELWVRGANVTPGYHGRPEATAAALAGDGWFRTGDVARRDADGYLTLVGRLADLIKIGGENVASPAVEAALAAHPAVAEACVVGVPDPALGEDVPAFVVLRDGAALDEAALRAHVAARRLAKHKLPRDFVVLPAVPRTATGKLVRR

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

PLDDT76.3
NLMSIM70.0
AACOMP86.5
Seqdif (SeqID)58.5 (HTP27738.1)
Structdif (F-Target)30.0 (2qvx 2)

ProtNLM

NameScore
Fatty-acyl-CoA synthase0.119
AMP-binding protein0.104
Long-chain fatty acid--CoA ligase0.097
Acyl-CoA synthetase (AMP-forming)/AMP-acid ligase II0.084
6.2.1.260.069
6.2.1.30.064
Designed by MP, using an AMD MI250 GPU