Structure of PDB 6rfq Chain A Binding Site BS01

Receptor Information
>6rfq Chain A (length=694) Species: 4952 (Yarrowia lipolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEIELTIDGHKVSIEAGSALIQACEKAGVTVPRYCYHDKLAIAGNCRMCL
VDVERAPKPVASCAYPVAPGMVVRTDTERVKQARENVMEMMLQNHPLDCP
VCDQGGECDLQDQSMRYGRDRGRFTEITGKRSTEDKNIGPLVKTSMNRCI
HCTRCVRFANDIAGAPELGSSGRGNDMQIGTYLEKNLNTELSGNVIDLCP
VGALTNKPYAFRARPWELKKTESIDVMDAVGSNIRIDSKGVEVMRVIPRV
HEDVNEEWINDKSRFACDGLKTQRLTTPLIRVGDKFVNATWDDALSTIAK
AYQQKAPKGDEFKAVAGALVEVESMVALKDMTNALGSENTTTDTPNGNSA
PAHGITFRSNYLFNSSIAGIEDADAILLVGTNPRREAAVMNARIRKAWLR
QELEIASVGPTLDATFDVAELGNTHADLEKALSGEFGEVLKNAKNPLIIV
GSGITDREDAGAFFNTIGKFVESTPSVLNENWNGYNVLQRSASRAGAYDI
GFTPSDEASKTTPKMVWLLGADEVAASDIPADAFVVYQGHNGDVGAQFAD
VVLPGAAYTEKAGTYVNTEGRSQISRAATGPPGGAREDWKILRAVSEYLG
VALPYEDAYEVRDRLAEISPSLVRYDLVEPTVFGDVAVQHSLVGPNGSVT
PSSAPLTETIENFYMTDSISRSSPTMAKSSIAFNKDNKKNQAFA
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 chain6rfq Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6rfq High-resolution cryo-EM structures of respiratory complex I: Mechanism, assembly, and disease.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		H129 C133 C136 Q138 C142 Q145 R182 V235
Binding residue
(residue number reindexed from 1)		H95 C99 C102 Q104 C108 Q111 R148 V201
Annotation score1
Enzymatic activity
Enzyme Commision number 1.6.99.3: Deleted entry.
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0016491 oxidoreductase activity
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0042773 ATP synthesis coupled electron transport
GO:0045333 cellular respiration
GO:1902600 proton transmembrane transport
Cellular Component
GO:0016020 membrane
GO:0045271 respiratory chain complex I

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6rfq, PDBe:6rfq, PDBj:6rfq
PDBsum6rfq
PubMed31844670
UniProtF2Z6F1

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