Structure of PDB 8qby Chain H Binding Site BS02

Receptor Information
>8qby Chain H (length=342) Species: 318586 (Paracoccus denitrificans PD1222) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAEFWASPYGFALSMLLQGLAVIAFVMGSLIFMVYGDRKIWAAVQMRRGP
NVVGPWGLLQTFADALKYIVKEIVIPAGADKFVYFLAPFLSMMLALFAFV
VIPFDEGWVMANINVGILFIFAASSLEVYGVIMGGWASNSKYPFLASLRS
AAQMISYEVSLGLIIIGIIISTGSMNLTAIVEAQRGDYGLLNWYWLPHLP
MVVLFFVSALAECNRPPFDLVEAESELVAGFMTEYSSTPYLLFMAGEYIA
MYLMCALLSLLFFGGWLSPVPFIADGWWWMVIKMWFWFYMFAMVKAIVPR
YRYDQLMRIGWKVFLPLSLGWVVLVAILARYEILGGFWARFA
Ligand information
Ligand IDU10
InChIInChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+
InChIKeyACTIUHUUMQJHFO-UPTCCGCDSA-N
SMILES
SoftwareSMILES
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)CCC=C(C)C
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)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)CC\C=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)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)\CC\C=C(/C)\CCC=C(C)C
FormulaC59 H90 O4
NameUBIQUINONE-10;
Coenzyme Q10
ChEMBLCHEMBL454801
DrugBankDB09270
ZINCZINC000085427689
PDB chain8qby Chain B Residue 401 [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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PDB8qby Respiratory complex I from Paracoccus denitrificans
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D64 L241
Binding residue
(residue number reindexed from 1)		D64 L241
Annotation score1
External links
PDB RCSB:8qby, PDBe:8qby, PDBj:8qby
PDBsum8qby
PubMed
UniProtA1B487|NUOH_PARDP NADH-quinone oxidoreductase subunit H (Gene Name=nuoH)

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