Structure of PDB 5gnw Chain E Binding Site BS01

Receptor Information
>5gnw Chain E (length=272) Species: 224911 (Bradyrhizobium diazoefficiens USDA 110) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLTEFDAGYGEQPFRDLCANYPGAEAYDPHDFRIEWGPIFHRGRLDGSAR
VLIVGQDPAQHETIVRRILVGTAGRRTQGFLAKLGIVQSYVMVNTFLYSV
YGQSGGSKHKNEPGIVDYRNKWFKAVLGPGNIEAVVSLGGLADEAWKAWL
KSSDGAAYKTLAYQHITHPTWPESSAHDSATQAANTKIMLAKWNAALAAL
APEVKHPDVPTTLVPYGDAFKPSELVDIIAKDLPAGLPAWMRGDTPWAVR
QGVDAAAKRRTIMITIPDGVIP
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 chain5gnw Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5gnw Uracil DNA glycosylase (UDG) activities in Bradyrhizobium diazoefficiens: characterization of a new class of UDG with broad substrate specificity
Resolution2.869 Å
Binding residue
(original residue number in PDB)		G55 Q56 D57 P58 E62 I68 L69 N94
Binding residue
(residue number reindexed from 1)		G55 Q56 D57 P58 E62 I68 L69 N94
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links