Structure of PDB 2zup Chain B Binding Site BS01

Receptor Information
>2zup Chain B (length=145) 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
LPLDKWVPQVFVASGDSWDFLGLEMPQWLLGIFIAYLIVAVLVVI
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 chain2zup Chain B Residue 177 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zup Dynamic nature of disulphide bond formation catalysts revealed by crystal structures of DsbB
Resolution3.7 Å
Binding residue
(original residue number in PDB)		A29 Q33 K39 C44 E47 R48 M142 L146
Binding residue
(residue number reindexed from 1)		A16 Q20 K26 C31 E34 R35 M125 L129
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) C41 C44 R48 C104 S130
Catalytic site (residue number reindexed from 1) C28 C31 R35 C91 S117
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:2zup, PDBe:2zup, PDBj:2zup
PDBsum2zup
PubMed19214188
UniProtP0A6M2|DSBB_ECOLI Disulfide bond formation protein B (Gene Name=dsbB)

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