Structure of PDB 4bc2 Chain C Binding Site BS02

Receptor Information
>4bc2 Chain C (length=527) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRRCCLGWDFSTQQVKVVAVDAELNVFYEESVHFDRDLPEFGTQGGVHVH
KDGLTVTSPVLMWVQALDIILEKMKASGFDFSQVLALSGAGQQHGSIYWK
AGAQQALTSLSPDLRLHQQLQDCFSISDCPVWMDSSTTAQCRQLEAAVGG
AQALSCLTGSRAYERFTGNQIAKIYQQNPEAYSHTERISLVSSFAASLFL
GSYSPIDYSDGSGMNLLQIQDKVWSQACLGACAPHLEEKLSPPVPSCSVV
GAISSYYVQRYGFPPGCKVVAFTGDNPASLAGMRLEEGDIAVSLGTSDTL
FLWLQEPMPALEGHIFCNPVDSQHYMALLCFKNGSLMREKIRNESVSRSW
SDFSKALQSTEMGNGGNLGFYFDVMEITPEIIGRHRFNTENHKVAAFPGD
VEVRALIEGQFMAKRIHAEGLGYRVMSKTKILATGGASHNREILQVLADV
FDAPVYVIDTANSACVGSAYRAFHGLAGGTDVPFSEVVKLAPNPRLAATP
SPGASQVYEALLPQYAKLEQRILSQTR
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 chain4bc2 Chain C Residue 1534 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bc2 Structure and Function of Human Xylulokinase, an Enzyme with Important Roles in Carbohydrate Metabolism
Resolution1.97 Å
Binding residue
(original residue number in PDB)		Q97 Q98 H99 W137 R170 D280 N281
Binding residue
(residue number reindexed from 1)		Q92 Q93 H94 W132 R165 D275 N276
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.17: xylulokinase.
Gene Ontology
Molecular Function
GO:0004856 D-xylulokinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005997 xylulose metabolic process
GO:0005998 xylulose catabolic process
GO:0006091 generation of precursor metabolites and energy
GO:0016310 phosphorylation
GO:0019640 D-glucuronate catabolic process to D-xylulose 5-phosphate
GO:0042732 D-xylose metabolic process
GO:0046835 carbohydrate phosphorylation
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4bc2, PDBe:4bc2, PDBj:4bc2
PDBsum4bc2
PubMed23179721
UniProtO75191|XYLB_HUMAN Xylulose kinase (Gene Name=XYLB)

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