Structure of PDB 5i6c Chain A Binding Site BS01

Receptor Information
>5i6c Chain A (length=480) Species: 227321 (Aspergillus nidulans FGSC A4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PFFGLNEKIPVLLAFILGLQHALAMLAGVVTPPLIISSSLSLPSDLQQYL
VSTSLIVCGLLSMVQITRFHIYKTPYYIGSGVLSVMGVSFSIISVASGAF
NQMYSNGFCQLDEAGNRLPCPEAYGALIGTSACCALVEILLAFVPPKVIQ
KIFPPIVTGPTVMLIGISLIGTGFKDWAGGSACMDDGMLCPSATAPRPLP
WGSPEFIGLGFLVFVSIILCERFGAPIMKSCSVVIGLLVGCIVAAACGYF
SHADIDAAPAASFIWVKTFPLSVYGPMVLPIIAVFIICACECIGDVTATC
DVSRLEVRGGTFESRIQGAVLADGINSVVAALATMTPMTTFAQNNVVIAL
TRCANRWAGYCCCLILIVAGIFAKFAAAIVAIPNSVMGGMKTFLFASVVI
SGQAIVAKAPFTRRNRFILTASMALGYGATLVPTWFGNVFPQTENRDLEG
FENAIELVLETGFAVTAFVAMLLNAIMPAE
Ligand information
Ligand IDXAN
InChIInChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChIKeyLRFVTYWOQMYALW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1NC(=O)c2nc[nH]c2N1
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)C(=O)NC(=O)N2
ACDLabs 10.04O=C2c1ncnc1NC(=O)N2
FormulaC5 H4 N4 O2
NameXANTHINE
ChEMBLCHEMBL1424
DrugBankDB02134
ZINCZINC000013517187
PDB chain5i6c Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5i6c Structure of eukaryotic purine/H(+) symporter UapA suggests a role for homodimerization in transport activity.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		S154 F155 E356 F406 Q408
Binding residue
(residue number reindexed from 1)		S89 F90 E291 F341 Q343
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0002060 purine nucleobase binding
GO:0015143 urate transmembrane transporter activity
GO:0022857 transmembrane transporter activity
GO:0042907 xanthine transmembrane transporter activity
Biological Process
GO:0015747 urate transport
GO:0042906 xanthine transport
GO:0055085 transmembrane transport
Cellular Component
GO:0000324 fungal-type vacuole
GO:0005886 plasma membrane
GO:0010008 endosome membrane
GO:0016020 membrane
GO:0034423 autophagosome lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5i6c, PDBe:5i6c, PDBj:5i6c
PDBsum5i6c
PubMed27088252
UniProtQ07307|UAPA_EMENI Uric acid-xanthine permease (Gene Name=uapA)

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