Structure of PDB 8iap Chain D Binding Site BS02

Receptor Information
>8iap Chain D (length=385) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NMTLNFGPQHPAAHGVLRLVLELSGEMVRKCDPHIGLLHRGTEKLIEYKT
YLQALPYFDRLDYVSMMCNEQAYSIAVEKLLNIQPPPRAQWIRVLFGEIT
RILNHIMAVTTHALDIGAMTPFFWMFEEREKMFEFYERVSGARMHAAYIR
PGGVHQDLPLGLLDDIYEFSKNFSLRIDEVEEMLTNNRIWRNRTVDIGVV
TAEDALNYGFSGVMLRGSGIQWDLRKTQPYDVYDQVEFDVPIGSRGDCYD
RYLCRVEEMRQSLRIIEQCLNKMPPGEIKVDDAKVSPPKRAEMKTSMESL
IHHFKLYTEGYQVPPGATYTAIEAPKGEFGVYLVSDGSSRPYRCKIKAPG
FAHLAGLDKMSKGHMLADVVAIIGTQDIVFGEIDR
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 chain8iap Chain D Residue 501 [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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PDB8iap Respiratory complex Peripheral Arm of CI, focus-refined map of type I, Wild type mouse under thermoneutral temperature
Resolution3.2 Å
Binding residue
(original residue number in PDB)		H92 Y141 M185 T189
Binding residue
(residue number reindexed from 1)		H14 Y63 M107 T111
Annotation score1
External links
PDB RCSB:8iap, PDBe:8iap, PDBj:8iap
PDBsum8iap
PubMed
UniProtQ91WD5|NDUS2_MOUSE NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial (Gene Name=Ndufs2)

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