Structure of PDB 2k74 Chain A Binding Site BS01

Receptor Information
>2k74 Chain A (length=183) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLRFLNQASQGRGAWLLMAFTALALELTALWFQHVMLLKPCVLSIYERAA
LFGVLGAALIGAIAPKTPLRYVAMVIWLYSAFRGVQLTYEHTMLQLYPSP
FATSDFMVRFPEWLPLDKWVPQVFVASGDCAERQWDFLGLEMPQWLLGIF
IAYLIVAVLVVISQPFKAKKRDLFGRGHHHHHH
Ligand information
Ligand IDUQ2
InChIInChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+
InChIKeySQQWBSBBCSFQGC-JLHYYAGUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)C\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)C
CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)C
CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C)CCC=C(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)C
FormulaC19 H26 O4
NameUBIQUINONE-2
ChEMBLCHEMBL1236595
DrugBankDB08690
ZINCZINC000001532641
PDB chain2k74 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2k74 NMR solution structure of the integral membrane enzyme DsbB: functional insights into DsbB-catalyzed disulfide bond formation.
ResolutionN/A
Binding residue
(original residue number in PDB)		L25 A29 Q33 P40 S44 M142 L146
Binding residue
(residue number reindexed from 1)		L25 A29 Q33 P40 S44 M142 L146
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) C41 S44 R48 S104 C130
Catalytic site (residue number reindexed from 1) C41 S44 R48 S104 C130
Enzyme Commision number ?
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2k74, PDBe:2k74, PDBj:2k74
PDBsum2k74
PubMed18922471
UniProtP0A6M2|DSBB_ECOLI Disulfide bond formation protein B (Gene Name=dsbB)

[Back to BioLiP]