Structure of PDB 7o6y Chain A Binding Site BS01

Receptor Information
>7o6y Chain A (length=693) 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
PSSAPLTETIENFYMTDSISRSSPTMAKSSIAFNKDNKKNQAF
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 chain7o6y 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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PDB7o6y High-resolution structure and dynamics of mitochondrial complex I-Insights into the proton pumping mechanism.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		H129 D132 C133 C136 G139 C142 Q145 V235
Binding residue
(residue number reindexed from 1)		H95 D98 C99 C102 G105 C108 Q111 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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7o6y, PDBe:7o6y, PDBj:7o6y
PDBsum7o6y
PubMed34767441
UniProtF2Z6F1

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