Structure of PDB 6yj4 Chain F Binding Site BS02

Receptor Information
>6yj4 Chain F (length=460) Species: 4952 (Yarrowia lipolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RQYGGLKDQDRIFQNLYDNYGWDLASARKQGDWYKTKELILKGDTWIIDE
IKKSGLRGRGGAGFPSGLKWSFMNPPGWEKNEGPRYLVVNADEGEPGTCK
DREIMRKDPHKLVEGCLLAGRAMNATAAYIYIRGEFYNEAAVLQTAINEA
YAAGLIGKDACGSGYDFDVYIHRGMGAYVCGEETSLIESLEGKAGKPRLK
PPFPAGVGLFGRPSTVTNVETVAVAPTILRRGGDWFASFGRERNSGTKLF
CISGNVNEPCTVEEEMSIPLRELLEKHCGGIKGGWDNLLGVIPGGCSVPI
LPKNICEDVLMDFDALKDVQSGLGTAAVIVINKQQDVIRAIQRFAAFYKH
ESCGQCTPCREGTTWLLKAMDRFRTGQAKEREIDMLYELTKDIEGHTICA
LGDAAAWPIQGLIRNFRPEMETRMKKFHDEVGAVSVGGWMKDARVEKGKV
VGAPLPGVHH
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 chain6yj4 Chain F Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6yj4 Mitochondrial complex I structure reveals ordered water molecules for catalysis and proton translocation.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		P225 S380 C381 G382 Q383 C384 C387 T425 C427 L429
Binding residue
(residue number reindexed from 1)		P197 S352 C353 G354 Q355 C356 C359 T397 C399 L401
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0010181 FMN binding
GO:0046872 metal ion binding
GO:0051287 NAD binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0045271 respiratory chain complex I

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6yj4, PDBe:6yj4, PDBj:6yj4
PDBsum6yj4
PubMed32747785
UniProtF2Z660

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