Structure of PDB 7nyr Chain G Binding Site BS05

Receptor Information
>7nyr Chain G (length=907) Species: 37762 (Escherichia coli B) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MATIHVDGKEYEVNGADNLLEACLSLGLDIPYFCWHPALGSVGACRQCAV
KQYQNAEDTRGRLVMSCMTPASDGTFISIDDEEAKQFRESVVEWLMTNHP
HDCPVCEEGGNCHLQDMTVMTGHSFRRYRFTKRTHRNQDLGPFISHEMNR
CIACYRCVRYYKDYADGTDLGVYGAHDNVYFGRPEDGTLESEFSGNLVEI
CPTGVFTDKTHSERYNRKWDMQFAPSICQQCSIGCNISPGERYGELRRIE
NRYNGTVNHYFLCDRGRFGYGYVNLKDRPRQPVQRRGDDFITLNAEQAMQ
GAADILRQSKKVIGIGSPRASVESNFALRELVGEENFYTGIAHGEQERLQ
LALKVLREGGIYTPALREIESYDAVLVLGEDVTQTGARVALAVRQAVKGK
AREMAAAQKVADWQIAAILNIGQRAKHPLFVTNVDDTRLDDIAAWTYRAP
VEDQARLGFAIAHALDNSAPAVDGIEPELQSKIDVIVQALAGAKKPLIIS
GTNAGSLEVIQAAANVAKALKGRGADVGITMIARSVNSMGLGIMGGGSLE
EALTELETGRADAVVVLENDLHRHASAIRVNAALAKAPLVMVVDHQRTAI
MENAHLVLSAASFAESDGTVINNEGRAQRFFQVYDPAYYDSKTVMLESWR
WLHSLHSTLLSREVDWTQLDHVIDAVVAKIPELAGIKDAAPDATFRIRGQ
KLAREPHRYSGRTAMRANISVHEPRQPQDIDTMFTFSMEGNNQPTAHRSQ
VPFAWAPGWNSPQAWNKFQDEVGGKLRFGDPGVRLFETSENGLDYFTSVP
ARFQPQDGKWRIAPYYHLFGSDELSQRAPVFQSRMPQPYIKLNPADAAKL
GVNAGTRVSFSYDGNTVTLPVEIAEGLTAGQVGLPMGMSGIAPVLAGAHL
EDLKEAQ
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7nyr Chain G Residue 1005 [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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PDB7nyr Structure of Escherichia coli respiratory complex I reconstituted into lipid nanodiscs reveals an uncoupled conformation.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		D617 Q632 E647 D731
Binding residue
(residue number reindexed from 1)		D617 Q632 E647 D731
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0005515 protein binding
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009060 aerobic respiration
GO:0022904 respiratory electron transport chain
GO:0042773 ATP synthesis coupled electron transport
GO:0045333 cellular respiration
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
GO:1990204 oxidoreductase complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7nyr, PDBe:7nyr, PDBj:7nyr
PDBsum7nyr
PubMed34308841
UniProtP33602|NUOG_ECOLI NADH-quinone oxidoreductase subunit G (Gene Name=nuoG)

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