Structure of PDB 6wn8 Chain A Binding Site BS01

Receptor Information
>6wn8 Chain A (length=209) Species: 72407 (Klebsiella pneumoniae subsp. pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMKIVEVKHPLVKHKLGLMREHDISTKRFRELASEVGSLLTYEATADLET
EKVTIEGWNGPVEVEQIKGKKITVVPILRAGLGMMEGVLEHVPSARISVV
GIYRNEETLEPVPYFQKLVSNIDERMALVVDPMLATGGSMIATIDLLKNA
GCTSIKVLVLVAAPEGIAALEKAHPDVELYTASVDKGLNEHGYIIPGLGD
AGDKIFGTK
Ligand information
Ligand IDBDF
InChIInChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyLKDRXBCSQODPBY-ARQDHWQXSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O
ACDLabs 10.04OC1C(O)(OCC(O)C1O)CO
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)(CO)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-fructopyranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBL
DrugBank
ZINCZINC000003861095
PDB chain6wn8 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wn8 A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		E5 K7 H8 E42
Binding residue
(residue number reindexed from 1)		E6 K8 H9 E43
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.2.9: uracil phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004845 uracil phosphoribosyltransferase activity
GO:0005525 GTP binding
GO:0016757 glycosyltransferase activity
Biological Process
GO:0006223 uracil salvage
GO:0008655 pyrimidine-containing compound salvage
GO:0044206 UMP salvage

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6wn8, PDBe:6wn8, PDBj:6wn8
PDBsum6wn8
PubMed36695589
UniProtA6TCB0|UPP_KLEP7 Uracil phosphoribosyltransferase (Gene Name=upp)

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