Structure of PDB 5grk Chain A Binding Site BS01

Receptor Information
>5grk Chain A (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 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 chain5grk Chain A Residue 301 [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]
PDB5grk Uracil DNA glycosylase (UDG) activities in Bradyrhizobium diazoefficiens: characterization of a new class of UDG with broad substrate specificity
Resolution2.804 Å
Binding residue
(original residue number in PDB)		Q56 D57 P58 E62 I68 L69 N94 H168
Binding residue
(residue number reindexed from 1)		Q56 D57 P58 E62 I68 L69 N94 H168
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links