Structure of PDB 4bc4 Chain A Binding Site BS01

Receptor Information
>4bc4 Chain A (length=525) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRCCLGWDFSTQQVKVVAVDAELNVFYEESVHFDRDLPEFGTQGGVHVHK
DGLTVTSPVLMWVQALDIILEKMKASGFDFSQVLALSGAGQQHGSIYWKA
GAQQALTSLSPDLRLHQQLQDCFSISDCPVWMDSSTTAQCRQLEAAVGGA
QALSCLTGSRAYERFTGNQIAKIYQQNPEAYSHTERISLVSSFAASLFLG
SYSPIDYSDGSGMNLLQIQDKVWSQACLGACAPHLEEKLSPPVPSCSVVG
AISSYYVQRYGFPPGCKVVAFTGDNPASLAGMRLEEGDIAVSLGTSDTLF
LWLQEPMPALEGHIFCNPVDSQHYMALLCFKNGSLMREKIRNESVSRSWS
DFSKALQSTEMGNGGNLGFYFDVMEITPEIIGRHRFNTENHKVAAFPGDV
EVRALIEGQFMAKRIHAEGLGYRVMSKTKILATGGASHNREILQVLADVF
DAPVYVIDTANSACVGSAYRAFHGLAGGTDVPFSEVVKLAPNPRLAATPS
PGASQVYEALLPQYAKLEQRILSQT
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 chain4bc4 Chain A Residue 1532 [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]
PDB4bc4 Structure and Function of Human Xylulokinase, an Enzyme with Important Roles in Carbohydrate Metabolism
Resolution1.79 Å
Binding residue
(original residue number in PDB)		Q97 Q98 H99 W137 R170 D280 N281
Binding residue
(residue number reindexed from 1)		Q91 Q92 H93 W131 R164 D274 N275
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:4bc4, PDBe:4bc4, PDBj:4bc4
PDBsum4bc4
PubMed23179721
UniProtO75191|XYLB_HUMAN Xylulose kinase (Gene Name=XYLB)

[Back to BioLiP]