Structure of PDB 8iba Chain D Binding Site BS02

Receptor Information
>8iba Chain D (length=386) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNMTLNFGPQHPAAHGVLRLVLELSGEMVRKCDPHIGLLHRGTEKLIEYK
TYLQALPYFDRLDYVSMMCNEQAYSIAVEKLLNIQPPPRAQWIRVLFGEI
TRILNHIMAVTTHALDIGAMTPFFWMFEEREKMFEFYERVSGARMHAAYI
RPGGVHQDLPLGLLDDIYEFSKNFSLRIDEVEEMLTNNRIWRNRTVDIGV
VTAEDALNYGFSGVMLRGSGIQWDLRKTQPYDVYDQVEFDVPIGSRGDCY
DRYLCRVEEMRQSLRIIEQCLNKMPPGEIKVDDAKVSPPKRAEMKTSMES
LIHHFKLYTEGYQVPPGATYTAIEAPKGEFGVYLVSDGSSRPYRCKIKAP
GFAHLAGLDKMSKGHMLADVVAIIGTQDIVFGEIDR
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 chain8iba Chain B Residue 302 [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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PDB8iba Respiratory complex Peripheral Arm of CI, focus-refined map of type IB, Wild type mouse under cold temperature
Resolution3.2 Å
Binding residue
(original residue number in PDB)		H92 Y141 M185
Binding residue
(residue number reindexed from 1)		H15 Y64 M108
Annotation score1
External links
PDB RCSB:8iba, PDBe:8iba, PDBj:8iba
PDBsum8iba
PubMed
UniProtQ91WD5|NDUS2_MOUSE NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial (Gene Name=Ndufs2)

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