Structure of PDB 4zbz Chain A Binding Site BS01

Receptor Information
>4zbz Chain A (length=192) 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
KYKEKEIIVFPTYHPAAALYNPNLRKILEEDFKKIRELAITP
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain4zbz Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zbz Crystal structure of family 4 uracil-DNA glycosylase from Sulfolobus tokodaii and a function of tyrosine 170 in DNA binding
Resolution1.9 Å
Binding residue
(original residue number in PDB)		C14 C17 W20 R23 C86 C102 Y105
Binding residue
(residue number reindexed from 1)		C14 C17 W20 R23 C86 C102 Y105
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.2.27: uracil-DNA glycosylase.
External links
PDB RCSB:4zbz, PDBe:4zbz, PDBj:4zbz
PDBsum4zbz
PubMed26318717
UniProtQ96YD0|UDGA_SULTO Type-4 uracil-DNA glycosylase (Gene Name=STK_22380)

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