Structure of PDB 5gpn Chain c Binding Site BS01

Receptor Information
>5gpn Chain c (length=410) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRHDWRLKGAQSRGDWYKTKEILLKGPDWILGEVKTSGLRGRGGAGFPTG
LKWSFMNKPSDGRPKYLVVNADEGEPGTCKDREIIRHDPHKLVEGCLVGG
RAMGARAAYIYIRGEFYNEASNLQVAIREAYEAGLIGKNACGSGYDFDVF
VVRGAGAYICGEETALIESIEGKQGKPRLKPPFPADVGVFGCPTTVANVE
TVAVSPTICRRGGAWFASFGRERNSGTKLFNISGHVNHPCTVEEEMSVPL
KELIEKHAGGVIGGWDNLLAVIPGGSSTPLIPKSVCETVLMDFDALVQAQ
TGLGTAAVIVMDRSTDIVKAIARLIEFYKHESCGQCTPCREGVDWMNKVM
ARFVKGDARPAEIDSLWEISKQIEGHTICALGDGAAWPVQGLIRHFRPEL
EERMQQFALQ
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 chain5gpn Chain c Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5gpn The architecture of the mammalian respirasome.
Resolution5.4 Å
Binding residue
(original residue number in PDB)		I205 P223 S378 C379 Q381 C382 C385 T423 I424 C425 L427
Binding residue
(residue number reindexed from 1)		I159 P177 S332 C333 Q335 C336 C339 T377 I378 C379 L381
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:0042775 mitochondrial ATP synthesis coupled electron transport
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005829 cytosol
GO:0045271 respiratory chain complex I

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5gpn, PDBe:5gpn, PDBj:5gpn
PDBsum5gpn
PubMed27654917
UniProtA0A4X1SZP7

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