M0SDW

Prompt

4.2.1.117

Lyases. Carbon-oxygen lyases. Hydro-lyases. 2-methylcitrate dehydratase (2-methyl-trans-aconitate forming).

AI Generated Sequence

535 AAs
MSDAAAAAAPYDDEVLRDIADYVVDYEIKSAEAYDTARNCLIDTLGCGLLALSYPECTKLLGPLVPGTIVPNGARVPGTQFRLDPVKAAWNIGAMIRWDLDFDTWLAAEWGHPSDNLGAIALTADYISRREAAGKKTPLSMKDVLTGMIKAHEIQGCLAIANSFNRVGLDHVVLVKVASTAVVARMLGLTREQIANAVSLAFVDGQSLRTYRHAPNTGPRKSWAYGDATSRAVRLALMTKTGEMGYPSVLTAKTWGFYDVLFKGEPFKFQRPYGSYVMENILFKISYPAEFHAQTALECAMALHDAIGRLKDIDEITIRTHEACLKIIDKKGPLYNPADRDHCIQYMVAVPLLFGRLTADDYDESVANDPRLDALREKMVCEEDPRFTTDYLDPKRSIANAITVFSDGTVTEVVVEYPIGHRRRRDEGIPLLVDKFKANLARQFPPQQRKILELVSADAAKLDRMPVEQFMDLFVDVGGGGVVTPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA

Ligand/Cofactor

2-methylcitrate

CC(C(=O)O)C(CC(=O)O)(C(=O)O)O

Validation Metrics

PLDDT84.8
NLMSIM85.0
AACOMP88.7
Seqdif (SeqID)24.2 (WP_144834895.1)
Structdif (F-Target)4.9 (5mux F)

ProtNLM

NameScore
4.2.1.790.455
2-methylcitrate dehydratase0.445
Bifunctional 2-methylcitrate dehydratase/aconitate hydratase0.046
2-methylcitrate dehydratase, mitochondrial0.009
2-methylcitrate dehydratase,0.009
4.2.1.30.004
Designed by MP, using an AMD MI250 GPU