Structure of PDB 7nyu Chain D Binding Site BS01

Receptor Information
>7nyu Chain D (length=588) Species: 37762 (Escherichia coli B) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAWQTRDHLDDPVIGELRNRFGPDAFTVQATRTGVPVVWIKREQLLEVGD
FLKKLPKPYVMLFDLHGMDERLRTHREGLPAADFSVFYHLISIDRNRDIM
LKVALAENDLHVPTFTKLFPNANWYERETWDLFGITFDGHPNLRRIMMPQ
TWKGHPLRKDYPARATEFSPFELTKAKQDLEMEALTFKPEEWGMKRGTEN
EDFMFLNLGPNHPSAHGAFRIVLQLDGEEIVDCVPDIGYHHRGAEKMGER
QSWHSYIPYTDRIEYLGGCVNEMPYVLAVEKLAGITVPDRVNVIRVMLSE
LFRINSHLLYISTFIQDVGAMTPVFFAFTDRQKIYDLVEAITGFRMHPAW
FRIGGVAHDLPRGWDRLLREFLDWMPKRLASYEKAALQNTILKGRSQGVA
AYGAKEALEWGTTGAGLRATGIDFDVRKARPYSGYENFDFEIPVGGGVSD
CYTRVMLKVEELRQSLRILEQCLNNMPEGPFKADHPLTTPPPKERTLQHI
ETLITHFLQVSWGPVMPANESFQMIEATKGINSYYLTSDGSTMSYRTRVR
TPSFAHLQQIPAAIRGSLVSDLIVYLGSIDFVMSDVDR
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 chain7nyu Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7nyu Structure of Escherichia coli respiratory complex I reconstituted into lipid nanodiscs reveals an uncoupled conformation.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		R250 R270 H355
Binding residue
(residue number reindexed from 1)		R242 R262 H347
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003954 NADH dehydrogenase activity
GO:0005515 protein binding
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0048038 quinone binding
GO:0050136 NADH:ubiquinone reductase (non-electrogenic) activity
GO:0051287 NAD binding
Biological Process
GO:0022904 respiratory electron transport chain
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030964 NADH dehydrogenase complex
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:7nyu, PDBe:7nyu, PDBj:7nyu
PDBsum7nyu
PubMed34308841
UniProtP33599|NUOCD_ECOLI NADH-quinone oxidoreductase subunit C/D (Gene Name=nuoC)

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