Structure of PDB 6ztq Chain B Binding Site BS02

Receptor Information
>6ztq Chain B (length=156) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRAEYVVTKLDDLINWARRSSLWPMTFGLACCAVEMMHMAAPRYDMDRFG
VVFRASPRQADVMIVAGTLTNKMAPALRKVYDQMPEPRYVVSMGSCANGG
GYYHYSYSVVRGCDRIVPVDIYVPGCPPTAEALLYGILQLQRKIKREQKL
KIWYRR
Ligand information
Ligand IDHQH
InChIInChI=1S/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13+,17-15+,18-9+/t19-,22+/m1/s1
InChIKeyBBLGCDSLCDDALX-LKGBESRRSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COC1=C(OC)C(=O)C(=C(CC=C(C)CC=CC(C)=C[CH](C)[CH](O)C(C)=CC)N1)C
CACTVS 3.385COC1=C(OC)C(=O)C(=C(C\C=C(/C)C\C=C\C(C)=C\[C@@H](C)[C@@H](O)C(/C)=C/C)N1)C
OpenEye OEToolkits 2.0.6CC=C(C)C(C(C)C=C(C)C=CCC(=CCC1=C(C(=O)C(=C(N1)OC)OC)C)C)O
OpenEye OEToolkits 2.0.6C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)O
FormulaC25 H37 N O4
NamePiericidin A
ChEMBLCHEMBL272733
DrugBank
ZINCZINC000014655907
PDB chain6ztq Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ztq Structure of inhibitor-bound mammalian complex I.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		G61 A66 M70
Binding residue
(residue number reindexed from 1)		G28 A33 M37
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:0009060 aerobic respiration
GO:0032981 mitochondrial respiratory chain complex I assembly
GO:0042776 proton motive force-driven mitochondrial ATP synthesis
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:6ztq, PDBe:6ztq, PDBj:6ztq
PDBsum6ztq
PubMed33067417
UniProtQ9DC70|NDUS7_MOUSE NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial (Gene Name=Ndufs7)

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