Structure of PDB 4zby Chain A Binding Site BS02

Receptor Information
>4zby Chain A (length=194) Species: 273063 (Sulfurisphaera tokodaii str. 7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDSLEKIKEEVISCKKCKLWQFRTNAVPGEGYPKAEIMFVGEAPGENEDK
EGRPFVGAAGKLLTQMIKEILGLERDQVFITNVVKCRPPNNRDPEEDEIT
ACSPYLDRQIDIIMPKIIVTLGRHSTKYIFSKMGENFSSITKVRGKSYVW
KYKEKEIIVFPTYHPAAALYNPNLRKILEEDFKKIRELAITPKR
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 chain4zby Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zby Crystal structure of family 4 uracil-DNA glycosylase from Sulfolobus tokodaii and a function of tyrosine 170 in DNA binding
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E42 A43 E48 P54 F55 N82 H164
Binding residue
(residue number reindexed from 1)		E42 A43 E48 P54 F55 N82 H164
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.2.27: uracil-DNA glycosylase.
External links
PDB RCSB:4zby, PDBe:4zby, PDBj:4zby
PDBsum4zby
PubMed26318717
UniProtQ96YD0|UDGA_SULTO Type-4 uracil-DNA glycosylase (Gene Name=STK_22380)

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