Structure of PDB 7w4j Chain A Binding Site BS01

Receptor Information
>7w4j Chain A (length=431) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKTSFGSLKDEDRIFTNLYGRHDWRLKGAQSRGDWYKTKEILLKGPDWIL
GEVKTSGLRGRGGAGFPTGLKWSFMNKPSDGRPKYLVVNADEGEPGTCKD
REIIRHDPHKLVEGCLVGGRAMGARAAYIYIRGEFYNEASNLQVAIREAY
EAGLIGKNACGSGYDFDVFVVRGAGAYICGEETALIESIEGKQGKPRLKP
PFPADVGVFGCPTTVANVETVAVSPTICRRGGAWFASFGRERNSGTKLFN
ISGHVNHPCTVEEEMSVPLKELIEKHAGGVIGGWDNLLAVIPGGSSTPLI
PKSVCETVLMDFDALVQAQTGLGTAAVIVMDRSTDIVKAIARLIEFYKHE
SCGQCTPCREGVDWMNKVMARFVKGDARPAEIDSLWEISKQIEGHTICAL
GDGAAWPVQGLIRHFRPELEERMQQFALQHQ
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 chain7w4j Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7w4j The coupling mechanism of mammalian mitochondrial complex I.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		C379 G380 Q381 C382 C385 C425 L427
Binding residue
(residue number reindexed from 1)		C352 G353 Q354 C355 C358 C398 L400
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:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:0042775 mitochondrial ATP synthesis coupled electron transport
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005829 cytosol
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:7w4j, PDBe:7w4j, PDBj:7w4j
PDBsum7w4j
PubMed35145322
UniProtA0A4X1SZP7

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