Structure of PDB 3qe7 Chain A Binding Site BS01

Receptor Information
>3qe7 Chain A (length=407) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RAIGVSERPPLLQTIPLSLQHLFAMFGATVLVPVLFHINPATVLLFNGIG
TLLYLFICKGKIPAYLGSSFAFISPVLLLLPLGYEVALGGFIMCGVLFCL
VSFIVKKAGTGWLDVLFPPAAMGAIVAVIGLELAGVAAGMAGLLPAEGQT
PDSKTIIISITTLAVTVLGSVLFRGFLAIIPILIGVLVGYALSFAMGIVD
TTPIINAHWFALPTLYTPRFEWFAILTILPAALVVIAEHVGHLVVTANIV
KKDLLRDPGLHRSMFANGLSTVISGFFGSTPNTTYGENIGVMAITRVYST
WVIGGAAIFAILLSCVGKLAAAIQMIPLPVMGGVSLLLYGVIGASGIRVL
IESKVDYNKAQNLILTSVILIIGVSGAKVNIGAAELKGMALATIVGIGLS
LIFKLIS
Ligand information
Ligand IDURA
InChIInChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKeyISAKRJDGNUQOIC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1NC=CC(=O)N1
ACDLabs 10.04O=C1C=CNC(=O)N1
OpenEye OEToolkits 1.5.0C1=CNC(=O)NC1=O
FormulaC4 H4 N2 O2
NameURACIL
ChEMBLCHEMBL566
DrugBankDB03419
ZINCZINC000000895045
PDB chain3qe7 Chain A Residue 430 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qe7 Structure and mechanism of the uracil transporter UraA
Resolution2.781 Å
Binding residue
(original residue number in PDB)		S72 F73 E241 Y288 E290 Y342
Binding residue
(residue number reindexed from 1)		S69 F70 E238 Y285 E287 Y339
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015205 nucleobase transmembrane transporter activity
GO:0015210 uracil transmembrane transporter activity
GO:0015293 symporter activity
GO:0015505 uracil:monoatomic cation symporter activity
GO:0022857 transmembrane transporter activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0015857 uracil transport
GO:0055085 transmembrane transport
GO:0098721 uracil import across plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3qe7, PDBe:3qe7, PDBj:3qe7
PDBsum3qe7
PubMed21423164
UniProtP0AGM7|URAA_ECOLI Uracil permease (Gene Name=uraA)

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