Structure of PDB 8iao Chain B Binding Site BS02

Receptor Information
>8iao Chain B (length=157) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSRAEYVVTKLDDLINWARRSSLWPMTFGLACCAVEMMHMAAPRYDMDRF
GVVFRASPRQADVMIVAGTLTNKMAPALRKVYDQMPEPRYVVSMGSCANG
GGYYHYSYSVVRGCDRIVPVDIYVPGCPPTAEALLYGILQLQRKIKREQK
LKIWYRR
Ligand information
Ligand IDUQ1
InChIInChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3
InChIKeySOECUQMRSRVZQQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C
ACDLabs 10.04O=C1C(=C(C(=O)C(OC)=C1OC)C)C\C=C(/C)C
FormulaC14 H18 O4
NameUBIQUINONE-1
ChEMBLCHEMBL1236594
DrugBankDB08689
ZINCZINC000001559692
PDB chain8iao 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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PDB8iao Respiratory complex CI:CIII2, type I, Wild type mouse under thermoneutral temperature
Resolution4.2 Å
Binding residue
(original residue number in PDB)
T94 G96 M105 R122
Binding residue
(residue number reindexed from 1)
T27 G29 M38 R55
Annotation score1
External links
PDB RCSB:8iao, PDBe:8iao, PDBj:8iao
PDBsum8iao
PubMed
UniProtQ9DC70|NDUS7_MOUSE NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial (Gene Name=Ndufs7)

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