Structure of PDB 7ar8 Chain H Binding Site BS01

Receptor Information
>7ar8 Chain H (length=324) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YIAVPAEILGIILPLLLGVAFLVLAERKVMAFVQRRKGPDVVGSFGLLQP
LADGLKLILKEPISPSSANFFLFRMAPVATFMLSLVAWAVVPFDYGMVLS
DLNIGLLYLFAISSLGVYGIIIAGRSSNSKYAFLGALRSAAQMVSYEVSI
GLILITVLICVGSCNLSEIVMAQKQIWFGIPLFPVLVMFFISCLAETNRA
PFDLPEAEAELVAGYNVEYSSMGFALFFLGEYANMILMSGLCTLFFLGGW
LPILDLPIFKKIPGSIWFSIKVLFFLFLYIWVRAAFPRYRYDQLMGLGWK
VFLPLSLAWVVSVSGLLVTFQWLP
Ligand information
Ligand IDUQ9
InChIInChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24-,42-26+,43-28+,44-30+,45-32-,46-34+,47-36+,48-38+
InChIKeyUUGXJSBPSRROMU-YJKFELPISA-N
SMILES
SoftwareSMILES
CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)C/C=C(C)/CC\C=C(C)\CC/C=C(C)/CC\C=C(C)/CC/C=C(C)/CC\C=C(C)\CC/C=C(C)/CC\C=C(C)/CCC=C(C)C
CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)C
ACDLabs 10.04O=C1C(=C(C(=O)C(OC)=C1OC)C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC/C=C(/C)CC\C=C(/C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
FormulaC54 H82 O4
NameUbiquinone-9;
2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14Z,18E,22E,26E,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18 ,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione
ChEMBL
DrugBank
ZINCZINC000098209509
PDB chain7ar8 Chain H Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ar8 A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Resolution3.53 Å
Binding residue
(original residue number in PDB)		L17 L18 A21 V24 F225 F229
Binding residue
(residue number reindexed from 1)		L16 L17 A20 V23 F224 F228
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
Biological Process
GO:0009060 aerobic respiration
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane
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:7ar8, PDBe:7ar8, PDBj:7ar8
PDBsum7ar8
PubMed33768254
UniProtP92558|NU1M_ARATH NADH-ubiquinone oxidoreductase chain 1 (Gene Name=ND1)

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