Structure of PDB 5lnk Chain 1 Binding Site BS01

Receptor Information
>5lnk Chain 1 (length=432) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKKTSFGSLKDEDRIFTNLYGRHDWRLKGAQSRGDWYKTKEILLKGPDWI
LGEVKTSGLRGRGGAGFPTGLKWSFMNKPSDGRPKYLVVNADEGEPGTCK
DREIIRHDPHKLVEGCLVGGRAMGARAAYIYIRGEFYNEASNLQVAIREA
YEAGLIGKNACGSGYDFDVFVVRGAGAYICGEETALIESIEGKQGKPRLK
PPFPADVGVFGCPTTVANVETVAVSPTICRRGGAWFASFGRERNSGTKLF
NISGHVNNPCTVEEEMSVPLKELIEKHAGGVTGGWDNLLAVIPGGSSTPL
IPKSVCETVLMDFDALIQAQTGLGTAAVIVMDRSTDIVKAIARLIEFYKH
ESCGQCTPCREGVDWMNKVMARFVRGDARPAEIDSLWEISKQIEGHTICA
LGDGAAWPVQGLIRHFRPELEERMQRFAQQHQ
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 chain5lnk 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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PDB5lnk Atomic structure of the entire mammalian mitochondrial complex I.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		P203 S358 C359 Q361 C362 C365 T403 I404 C405
Binding residue
(residue number reindexed from 1)		P197 S352 C353 Q355 C356 C359 T397 I398 C399
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
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Biological Process
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Cellular Component
External links
PDB RCSB:5lnk, PDBe:5lnk, PDBj:5lnk
PDBsum5lnk
PubMed27595392
UniProtW5PUX0

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