Structure of PDB 6fah Chain A

Receptor sequence

>6fahA (length=389) Species: 931626 (Acetobacterium woodii DSM 1030)

EKCIGCSKCQKSCPFDAITIENKIAVIGDACTNCGTCIDVCPTEAILQEG
TEKIVRDLSMYKGVWVFAEQREGKIMPVVFELLGEGKKLANEIGTELCAI
LCGSNVAELTDELFAYGADKVYLADAPELEKYTTDGYSKIINEAIGLYKP
EIVLYGATHIGRDLAPCLAVKVNTGLTADCTKLEIDPDDKKIRQTRPAFG
GNLMATIVCPGSRPQMSTVRPGVMDKAAYDPSQKGEVIKLDATFNEGDIR
TKVLEIVKTTTDNISISDADFIVSGGMGLGKPEGFELLKQLADKLGGTVA
TSRACVDAGWADHAQQVGQTGTTVKPQIYFACGISGAIQHIAGMQDSDII
IAINKNENAPIFEVADYGIVGDLYKVIPAIIEELDKIGK

3D structure

• PDB: 6fah Molecular basis of the flavin-based electron-bifurcating caffeyl-CoA reductase reaction.
• Chain: A
• Resolution: 3.133 Å

Enzymatic activity

• Enzyme Commision number: 1.3.1.108: caffeoyl-CoA reductase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	FAD	A	M284 G285 S309 R310 G325 T327 G340 I341 S342 A344 Q346 H347 N361 K362 D379 L380	M277 G278 S302 R303 G318 T320 G333 I334 S335 A337 Q339 H340 N354 K355 D372 L373
BS02	SF4	A	C10 G12 C13 C16 C48	C3 G5 C6 C9 C41
BS03	SF4	A	C20 P21 C38 T39 N40 C41 C44	C13 P14 C31 T32 N33 C34 C37
BS04	FAD	A	L183 T184 R203 I214	L176 T177 R196 I207

Gene Ontology

Molecular Function

• GO:0009055 electron transfer activity
• GO:0016491 oxidoreductase activity
• GO:0016628 oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor
• GO:0046872 metal ion binding
• GO:0050660 flavin adenine dinucleotide binding
• GO:0051539 4 iron, 4 sulfur cluster binding
• GO:0071949 FAD binding

Biological Process

• GO:0033539 fatty acid beta-oxidation using acyl-CoA dehydrogenase

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6fah, PDBe:6fah, PDBj:6fah
• PDBsum: 6fah
• PubMed: 29325219
• UniProt: H6LGM8|CARE_ACEWD Caffeyl-CoA reductase-Etf complex subunit CarE (Gene Name=carE)