Structure of PDB 6fah Chain A Binding Site BS02

Receptor Information
>6fah Chain A (length=389) Species: 931626 (Acetobacterium woodii DSM 1030) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKCIGCSKCQKSCPFDAITIENKIAVIGDACTNCGTCIDVCPTEAILQEG
TEKIVRDLSMYKGVWVFAEQREGKIMPVVFELLGEGKKLANEIGTELCAI
LCGSNVAELTDELFAYGADKVYLADAPELEKYTTDGYSKIINEAIGLYKP
EIVLYGATHIGRDLAPCLAVKVNTGLTADCTKLEIDPDDKKIRQTRPAFG
GNLMATIVCPGSRPQMSTVRPGVMDKAAYDPSQKGEVIKLDATFNEGDIR
TKVLEIVKTTTDNISISDADFIVSGGMGLGKPEGFELLKQLADKLGGTVA
TSRACVDAGWADHAQQVGQTGTTVKPQIYFACGISGAIQHIAGMQDSDII
IAINKNENAPIFEVADYGIVGDLYKVIPAIIEELDKIGK
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6fah Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6fah Molecular basis of the flavin-based electron-bifurcating caffeyl-CoA reductase reaction.
Resolution3.133 Å
Binding residue
(original residue number in PDB)		C10 G12 C13 C16 C48
Binding residue
(residue number reindexed from 1)		C3 G5 C6 C9 C41
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.1.108: caffeoyl-CoA reductase.
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6fah, PDBe:6fah, PDBj:6fah
PDBsum6fah
PubMed29325219
UniProtH6LGM8|CARE_ACEWD Caffeyl-CoA reductase-Etf complex subunit CarE (Gene Name=carE)

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