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Receptor Information

>8ca1 Chain A (length=589) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RAESKSFAVGMFKGQLTIDQVFPYPSVLSEEQAQFLKELVGPVARFFEEV
NDPAKNDALEKVEDDTLQGLKELGAFGLQVPSELGGLGLSNTQYARLAEI
VGMHDLGVSVTLGAHQSIGFKGILLYGTKAQREKYLPRVASGQALAAFCL
TEPSSGSDVASIRSSAIPSPCGKYYTLNGSKIWISNGGLADIFTVFAKTP
IKDAATGAVKEKITAFVVERSFGGVTHGLPEKKMGIKASNTSEVYFDGVK
VPSENVLGEVGDGFKVAVNILNNGRFGMAATLAGTMKSLIAKAVDHATNR
TQFGDKIHNFGVIQEKLARMAILQYVTESMAYMLSANMDQGFKDFQIEAA
ISKIFCSEAAWKVADECIQIMGGMGFMKEPGVERVLRDIRIFRIFEGAND
ILRLFVALQGCMDKGKELTGLGNALKNPFGNVGLLMGEAGKQLRRRTGIG
SGLSLSGIVHPELSRSGELAVQALDQFATVVEAKLVKHKKGIVNEQFLLQ
RLADGAIDLYAMVVVLSRASRSLSEGYPTAQHEKMLCDSWCIEAATRIRE
NMASLQSSPQHQELFRNFRSISKAMVENGGLVTGNPLGI

Ligand ID

FAD

InChI

InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

InChIKey

VWWQXMAJTJZDQX-UYBVJOGSSA-N

SMILES

Software	SMILES
CACTVS 3.341	Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341	Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04	O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C

Formula

C27 H33 N9 O15 P2

Name

FLAVIN-ADENINE DINUCLEOTIDE

PDB chain

8ca1 Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8ca1 Cryo-EM structure of the ACADVL dimer from Mus musculus.
Resolution	4.3 Å
Binding residue (original residue number in PDB)	F215 T218 G223 S224 W250 S252 F462 D467 I468 Q563
Binding residue (residue number reindexed from 1)	F148 T151 G156 S157 W183 S185 F395 D400 I401 Q496
Annotation score	3

Enzyme Commision number

1.3.8.9: very-long-chain acyl-CoA dehydrogenase.

	Molecular Function
GO:0003995	acyl-CoA dehydrogenase activity
GO:0004466	long-chain fatty acyl-CoA dehydrogenase activity
GO:0016491	oxidoreductase activity
GO:0016627	oxidoreductase activity, acting on the CH-CH group of donors
GO:0017099	very-long-chain fatty acyl-CoA dehydrogenase activity
GO:0042802	identical protein binding
GO:0050660	flavin adenine dinucleotide binding

	Biological Process
GO:0001659	temperature homeostasis
GO:0006631	fatty acid metabolic process
GO:0006635	fatty acid beta-oxidation
GO:0009062	fatty acid catabolic process
GO:0009409	response to cold
GO:0030855	epithelial cell differentiation
GO:0033539	fatty acid beta-oxidation using acyl-CoA dehydrogenase
GO:0045717	negative regulation of fatty acid biosynthetic process
GO:0046322	negative regulation of fatty acid oxidation
GO:0090181	regulation of cholesterol metabolic process

	Cellular Component
GO:0005654	nucleoplasm
GO:0005730	nucleolus
GO:0005739	mitochondrion
GO:0005743	mitochondrial inner membrane
GO:0031966	mitochondrial membrane
GO:0042645	mitochondrial nucleoid

PDB	RCSB:8ca1, PDBe:8ca1, PDBj:8ca1
PDBsum	8ca1
PubMed	38177503
UniProt	P50544\|ACADV_MOUSE Very long-chain specific acyl-CoA dehydrogenase, mitochondrial (Gene Name=Acadvl)

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Structure of PDB 8ca1 Chain A Binding Site BS02