MBIRD

Prompt

5.3.3.7

Isomerases. Intramolecular oxidoreductases. Transposing C=C bonds. aconitate Delta-isomerase.

AI Generated Sequence

894 AAs
MSSSDAFTTRRTLDVDGRDVHYYSLPEAAAAGLDGMDRLPLSMKVLLENLLRHEDGRTVTEADVRALADWLGRRGRDEIAYRPARVLMQDFTGVPAVVDLAAMRDAVAALGGDPQRINPLVPVDLVIDHSVMVDHFGTPDAFARNVELEFERNRERYAFLRWGQSAFDNFRVVPPGTGICHQVNLEYLARVVWTREDGELAYPDTLVGTDSHTTMINGLGVLGWGVGGIEAEAAMLGQPVSMLIPEVVGFRLTGKLREGVTATDLVLTVTQMLRKHGVVGKFVEFFGPGLAHLSLADRATIANMAPEYGATCGIFPVDEATLAYLRGTGRDEARIALVEAYAKAQGMWRDPGAPEPVYTDTLELDLGTVAPSLAGPKRPQDRVALGDMAAAFADFLEKPVGKGGFAPADLAARVPVDGRDFDLGHGDVVIAAITSCTNTSNPSVMIAAGLVARKAVEKGLTRKPWVKTSLAPGSQVVTDYLEASGLQPYLDKLGFNLVGYGCTTCIGNSGPLPPEISKAINDGDLVAAAVLSGNRNFEGRVHPDVRANYLASPPLVVAHALAGTMRIDLTREPLGVGKDGQPVYLKDIWPTQAEIDAVIAKAVDPAMFRAAYADVFAGDDRWQAIDAPEGQTYAWPADSTYIRNPPFFDGMTAEPGAIADIHGARALALLGDSVTTDHISPAGSIKADSPAGKYLTGHGVARADFNSYGSRRGNHEVMMRGTFANVRIRNLMLPGVEGGFTRHFPSGEQMSIFDAAMRYQAEGTPLVVIAGEEYGTGSSRDWAAKGTALLGVRAVIAESFERIHRSNLVGMGVLPLQFREGVDWRTLGLTGDETFDIDGIDGLKPRQTVTVTVHRADGTTQTFPVLCRIDTVNEIDYYRHGGILPYVLRQLIAA

Ligand/Cofactor

aconitate

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

Validation Metrics

PLDDT85.2
NLMSIM70.0
AACOMP93.2
Seqdif (SeqID)26.4 (WP_012568501.1)
Structdif (F-Target)4.5 (2b3y B)

ProtNLM

NameScore
Aconitase0.369
Aconitate hydratase0.305
4.2.1.30.300
Aconitate hydratase AcnA0.015
2-methyl-cis-aconitate hydratase0.003
4.2.1.990.001
Designed by MP, using an AMD MI250 GPU