Structure of PDB 6zkr Chain 1 Binding Site BS01

Receptor Information
>6zkr Chain 1 (length=430) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTSFGSLKDEDRIFTNLYGRHDWRLKGAQSRGDWYKTKEILLKGPDWILG
EVKTSGLRGRGGAGFPTGLKWSFMNKPSDGRPKYLVVNADEGEPGTCKDR
EIIRHDPHKLVEGCLVGGRAMGARAAYIYIRGEFYNEASNLQVAIREAYE
AGLIGKNACGSGYDFDVFVVRGAGAYICGEETALIESIEGKQGKPRLKPP
FPADVGVFGCPTTVANVETVAVSPTICRRGGAWFASFGRERNSGTKLFNI
SGHVNNPCTVEEEMSVPLKELIEKHAGGVTGGWDNLLAVIPGGSSTPLIP
KSVCETVLMDFDALIQAQTGLGTAAVIVMDRSTDIVKAIARLIEFYKHES
CGQCTPCREGVDWMNKVMARFVRGDARPAEIDSLWEISKQIEGHTICALG
DGAAWPVQGLIRHFRPELEERMQRFAQQHQ
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 chain6zkr Chain 1 Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zkr The coupling mechanism of mammalian respiratory complex I.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		P203 C359 G360 Q361 C362 C365 T403 I404 C405 L407
Binding residue
(residue number reindexed from 1)		P195 C351 G352 Q353 C354 C357 T395 I396 C397 L399
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: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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6zkr, PDBe:6zkr, PDBj:6zkr
PDBsum6zkr
PubMed32972993
UniProtW5PUX0

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