MLFOJ

Prompt

4.2.1.117

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

AI Generated Sequence

500 AAs

MSAAAAAAAAPDDAVLRDIADYVMDFEIKSAEAYDTARNCLIDTLGCGLLALKYPECTKLLGPVVPGTIVPNGARVPGTQFRLDPVQAAWNIGAMIRWLDFNDTWLAAEWGHPSDNLGAILATADYISRRELAGKTQPLSMKDVLTGMIKAHEIQGCLALANSFNRVGLDHVVLVKVASTAVVARMLGGTREQIANAVSLAWVDGQSLRTYRHAPNTGPRKSWAYGDATSRAVRLALMTKTGEMGYPSVLSAKTWGFYDVLFKGEPFKFQRPYGSYVMENILFKISFPAEFHAQTAVECAMALHEQIAAGKDIDRIEIRTHQEACKIIDKKGPLYNPADRDHCIQYMVAVPLLFGRLTADDYDEAVANDPRLDALREKMVCEEDPRFTTEHLDPKRSIANAITFTDGTSFTEVVVEYPIGHRRRRDEGIPLLIDKFKANLARQFPEQQRRIIELASLDAAKLDRMPVQQFMDLYVPVGGGGGGGGGGGGGGGGGGGGGGG

Ligand/Cofactor

2-methylcitrate

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

Validation Metrics

PLDDT	84.6
NLMSIM	90.0
AACOMP	94.4
Seqdif (SeqID)	23.6 (WP_144834895.1)
Structdif (F-Target)	5.2 (5mux F)

ProtNLM

Name	Score
4.2.1.79	0.488
2-methylcitrate dehydratase	0.456
Bifunctional 2-methylcitrate dehydratase/aconitate hydratase	0.040
4.2.1.3	0.004
Aconitate hydratase	0.001
Enolase	0.001