MQEZ0

Prompt

4.2.1.3

Lyases. Carbon-oxygen lyases. Hydro-lyases. aconitate hydratase.

AI Generated Sequence

897 AAs
MSSSDTFQTLRTLDVGGRDVHYYSLPEAAAAGLRGIDRLPLSMKVLLENLLREEDGRTVTEADVRALAGWLGRRGSDREIAYRPARVLMQDFTGVPCVVDLAAMRDAVAALGGDPQRINPLVPVDLVIDHSVMVDHFGTPDAFDRNVALEYERNRERYEFLRWGQRAFDNFRVVPPGTGICHQVNLEYLARVVWTREDGETVAYPDTLVGTDSHTTMINGLGVLGWGVGGIEAEAAMLGQPVSMLIPEVVGFRLTGRLREGVTATDLVLTVTQMLRKKGVVGKFVEFFGPGLAHLSLADRATIANMAPEYGATCGIFPVDEVTLDYLRLTGRPEARVALVEAYAKAQGMWRDPGAPEPVYTDTLELDLGTVAPSLAGPKRPQDRVALGDVAADFAAALDKPVGKGHGLAPADLAARVPVEGREYELGHGDVVIAAITSCTNTSNPSVMVAAGLVARKAVEKGLTRRPWVKTSLAPGSQVVTDYLAASGLQPYLDKVGFNLVGYGCTTCIGNSGPLPEPISEAITEADLVAAAVLSGNRNFEGRVHPDVRANYLASPPLVVAYALAGTVRIDLTREPLGVDGDGRPVYLKDIWPTDAEIAAVIRRYVDPALFERAYADVFAGDDRWQAIEAPEGQTYAWPAGSTYIRNPPYFDGMTMAPPAVADIAGARALALLGDSITTDHISPAGSIKADSPAGRYLAAHGVARADFNSYGSRRGNHEVMMRGTFANVRIRNLMVPGVEGGFTRHFPTGEEMPIFDAAMRYQADGTPLVVIAGEEYGTGSSRDWAAKGTFLLGVRAVIAESFERIHRSNLVGMGVLPLQFREGVDWRTLGLTGRETFDVDGIDGLRPGQTVTVTVTRADGTVQEFPVLCRIDTVNEVDYYRHGGILQYVLRQLIAA

Ligand/Cofactor

aconitate

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

Validation Metrics

PLDDT85.4
NLMSIM95.0
AACOMP92.4
Seqdif (SeqID)27.5 (WP_012568501.1)
Structdif (F-Target)4.7 (2b3y B)

ProtNLM

NameScore
Aconitase0.366
4.2.1.30.305
Aconitate hydratase0.298
Aconitate hydratase AcnA0.019
2-methyl-cis-aconitate hydratase0.003
4.2.1.990.002
Designed by MP, using an AMD MI250 GPU