Structure of PDB 7vum Chain A Binding Site BS01
Receptor Information
>7vum Chain A (length=101) Species:
208964
(Pseudomonas aeruginosa PAO1) [
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RGVNKVILVGNVGGDPETRYMPNGNAVTNITLATSESERTEWHRVVFFGR
LAEIAGEYLRKGSQVYVEGSLRTRKWQGQDGQDRYTTEIVVDINGNMQLL
G
Ligand information
Ligand ID
QUE
InChI
InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
InChIKey
REFJWTPEDVJJIY-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
OpenEye OEToolkits 1.5.0
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
ACDLabs 10.04
O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3O
Formula
C15 H10 O7
Name
3,5,7,3',4'-PENTAHYDROXYFLAVONE;
QUERCETIN
ChEMBL
CHEMBL50
DrugBank
DB04216
ZINC
ZINC000003869685
PDB chain
7vum Chain A Residue 201 [
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Receptor-Ligand Complex Structure
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PDB
7vum
A Complexed Crystal Structure of a Single-Stranded DNA-Binding Protein with Quercetin and the Structural Basis of Flavonol Inhibition Specificity.
Resolution
2.319 Å
Binding residue
(original residue number in PDB)
I105 N106
Binding residue
(residue number reindexed from 1)
I93 N94
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0003697
single-stranded DNA binding
Biological Process
GO:0006260
DNA replication
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Molecular Function
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Biological Process
External links
PDB
RCSB:7vum
,
PDBe:7vum
,
PDBj:7vum
PDBsum
7vum
PubMed
35054774
UniProt
P40947
|SSB_PSEAE Single-stranded DNA-binding protein (Gene Name=ssb)
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