Structure of PDB 1tuv Chain A Binding Site BS01

Receptor Information
>1tuv Chain A (length=103) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLTVIAEIRTRPGQHHRQAVLDQFAKIVPTVLKEEGCHGYAPMVDCAAGV
SFQSMAPDSIVMIEQWESIAHLEAHLQTPHMKAYSEAVKGDVLEMNIRIL
QPG
Ligand information
Ligand IDVK3
InChIInChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
InChIKeyMJVAVZPDRWSRRC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC1=CC(=O)c2ccccc2C1=O
ACDLabs 10.04O=C2c1c(cccc1)C(=O)C(=C2)C
FormulaC11 H8 O2
NameMENADIONE;
VITAMIN K3;
2-METHYL-1,4-NAPHTHALENEDIONE
ChEMBLCHEMBL590
DrugBankDB00170
ZINCZINC000000001677
PDB chain1tuv Chain A Residue 4558 [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]
PDB1tuv Structural and Biochemical Evidence for an Enzymatic Quinone Redox Cycle in Escherichia coli: IDENTIFICATION OF A NOVEL QUINOL MONOOXYGENASE
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E64 L76 M95 I97
Binding residue
(residue number reindexed from 1)		E64 L76 M95 I97
Annotation score5
Enzymatic activity
Enzyme Commision number 1.-.-.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0010447 response to acidic pH
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1tuv, PDBe:1tuv, PDBj:1tuv
PDBsum1tuv
PubMed15613473
UniProtP0ADU2|YGIN_ECOLI Probable quinol monooxygenase YgiN (Gene Name=ygiN)

[Back to BioLiP]