Structure of PDB 7nyu Chain B Binding Site BS01

Receptor Information
>7nyu Chain B (length=159) Species: 37762 (Escherichia coli B) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDMVNWGRKNSIWPYNFGLSCCYVEMVTSFTAVHLRASPRQADLMVVAGT
CFTKMAPVIQRLYDQMLEPKWVISMGACANSGGMYDIYSVVQGVDKFIPV
DVYIPGCPPRPEAYMQALMLLQESIGKEQGVYRANMQSERERKRGERIAV
TNLRTPDEI
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
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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)		C63 C64 T101 C129 C158 P159
Binding residue
(residue number reindexed from 1)		C21 C22 T50 C78 C107 P108
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0005506 iron ion binding
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0050136 NADH:ubiquinone reductase (non-electrogenic) activity
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
GO:0022904 respiratory electron transport chain
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030964 NADH dehydrogenase complex
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:7nyu, PDBe:7nyu, PDBj:7nyu
PDBsum7nyu
PubMed34308841
UniProtP0AFC7|NUOB_ECOLI NADH-quinone oxidoreductase subunit B (Gene Name=nuoB)

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