Structure of PDB 3e9j Chain C Binding Site BS01

Receptor Information
>3e9j Chain C (length=134) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AWLLMAFTALALELTALWFQHVMLLKPCVLCIYERVALFGVLGAALIGAI
APKTPLRYVAMVIWLYSAFRGVQLTYEHTMLQLYPSPFATCDFMVRFPEW
LPLDKWVPQVFVAMPQWLLGIFIAYLIVAVLVVI
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 chain3e9j Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3e9j Preparation and structure of the charge-transfer intermediate of the transmembrane redox catalyst DsbB.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		K39 C41 C44 E47 R48 H91 M142 L146
Binding residue
(residue number reindexed from 1)		K26 C28 C31 E34 R35 H78 M114 L118
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) C41 C44 R48 C104
Catalytic site (residue number reindexed from 1) C28 C31 R35 C91
Enzyme Commision number 1.8.5.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0009055 electron transfer activity
GO:0015035 protein-disulfide reductase activity
GO:0016491 oxidoreductase activity
GO:0016672 oxidoreductase activity, acting on a sulfur group of donors, quinone or similar compound as acceptor
GO:0048039 ubiquinone binding
Biological Process
GO:0006457 protein folding
GO:0009408 response to heat
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3e9j, PDBe:3e9j, PDBj:3e9j
PDBsum3e9j
PubMed18775700
UniProtP0A6M2|DSBB_ECOLI Disulfide bond formation protein B (Gene Name=dsbB)

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