Structure of PDB 3l0q Chain A Binding Site BS01

Receptor Information
>3l0q Chain A (length=541) Species: 633 (Yersinia pseudotuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASYFIGVDVGTGSARAGVFDLQGRMVGQASREITMFKPKADFVEQSSENI
WQAVCNAVRDAVNQADINPIQVKGLGFDATCSLVVLDKEGNPLTVSPSGR
NEQNVIVWMDHRAITQAERINATKHPVLEFVGGVISPEMQTPKLLWLKQH
MPNTWSNVGHLFDLPDFLTWRATKDETRSLCSTVCKWTYLGHEDRWDPSY
FKLVGLADLLDNNAAKIGATVKPMGAPLGHGLSQRAASEMGLIPGTAVSV
SIIDAHAGTIGILGASGVTGENANFDRRIALIGGTSTAHMAMSRSAHFIS
GIWGPYYSAILPEYWLNEGGQSATGALIDHIIQSHPCYPALLEQAKNKGE
TIYEALNYILRQMAGEPENIAFLTNDIHMLPYFHGNRSPRANPNLTGIIT
GLKLSTTPEDMALRYLATIQALALGTRHIIETMNQNGYNIDTMMASGGGT
KNPIFVQEHANATGCAMLLPEESEAMLLGSAMMGTVAAGVFESLPEAMAA
MSRIGKTVTPQTNKIKAYYDRKYRVFHQMYHDHMRYQALMQ
Ligand information
Ligand IDXUL
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m1/s1
InChIKeyZAQJHHRNXZUBTE-WUJLRWPWSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(CO)C(O)C(O)CO
OpenEye OEToolkits 1.5.0C(C(C(C(=O)CO)O)O)O
OpenEye OEToolkits 1.5.0C([C@H]([C@@H](C(=O)CO)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)C(=O)CO
CACTVS 3.341OC[C@@H](O)[C@H](O)C(=O)CO
FormulaC5 H10 O5
NameD-XYLULOSE
ChEMBLCHEMBL195094
DrugBank
ZINCZINC000100028356
PDB chain3l0q Chain A Residue 553 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3l0q The crystal structure of xylulose kinase from Yersinia pseudotuberculosis
Resolution1.61 Å
Binding residue
(original residue number in PDB)		T81 C82 W109 K187 D255 A256 E319
Binding residue
(residue number reindexed from 1)		T80 C81 W108 K186 D254 A255 E318
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0019150 D-ribulokinase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0016310 phosphorylation
GO:0019321 pentose metabolic process
GO:0046835 carbohydrate phosphorylation
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3l0q, PDBe:3l0q, PDBj:3l0q
PDBsum3l0q
PubMed
UniProtQ665C6

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