M12WA

Prompt

1.3.8.13

Oxidoreductases. Acting on the CH-CH group of donors. With a flavin as acceptor. crotonobetainyl-CoA reductase.

AI Generated Sequence

477 AAs
MKQQLGAIAAAAAAAAAAAAPLPALYAGLVTRPGDPRSVLHLDEVPVPELGPGEALVAVMAASVNYNSVWTSIFEPLTRHDLPYHVIGSDLAGVVLRTGPGVNAWKPGDEVVAHCLSVELESPDGHGDTMLDPEQRIWGFETNFGGLAEIALVKANQLMPKPAHLSWEEAAAPGLVNSTAYRQLVSRNGAGMKQGDVVLIWGASGGLGSYATQFALNGGANPICVVSSPQKAELCRSLGAEAIIDRAAEGYKFWKDQPKEWKRFGKRIRELTGGEVDDILVEHPGRETFGASVFVARKGGTITTCASTSGYLHQYDNRYLWMSLKRIVGSHFANYREAWEANRLIAKGKIHPTLSKVYPLAQTGQAAYDVHRNLHQGKVGVLCLAPQAGLLGKEGVLALAPAAGLGVRDPALRAAHAAPIAHFRTGGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA

Ligand/Cofactor

FAD

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O

Validation Metrics

PLDDT82.7
NLMSIM80.0
AACOMP85.1
Seqdif (SeqID)14.0 (WP_203349168.1)
Structdif (F-Target)4.4 (2eih A)

ProtNLM

NameScore
Crotonyl-CoA reductase0.256
1.3.1.850.207
Crotonyl-CoA reductase,0.128
Crotonyl-CoA carboxylase/reductase0.091
Crotonyl CoA reductase0.043
1.3.1.860.029
Designed by MP, using an AMD MI250 GPU