Structure of PDB 8a5c Chain A Binding Site BS01

Receptor Information
>8a5c Chain A (length=237) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APLNAARPAEERAALLAWVKERLHEEYGDQDPTPRRDPMHELISTILSQR
TTHADEEAAYQELRTLGDWDAITLAPTDAVAHAIRRSNLPESKAPRIQET
LRRIKAAPGGYDLDFLRDLPVKDALKWLTDLPGVGVKTASLVLLFNYARP
VFPVDTHVHRVSTRVGVIPRMGEQAAHRALLALLPPDPPYLYELHINFLS
HGRQVCTWTRPKCGKCILRERCDAYALYGDKVPSFSE
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 chain8a5c Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8a5c Disentangling Unusual Catalytic Properties and the Role of the [4Fe-4S] Cluster of Three Endonuclease III from the Extremophile D. radiodurans.
Resolution1.951 Å
Binding residue
(original residue number in PDB)		C224 P229 C231 C234 R237 C240
Binding residue
(residue number reindexed from 1)		C206 P211 C213 C216 R219 C222
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000703 oxidized pyrimidine nucleobase lesion DNA N-glycosylase activity
GO:0003824 catalytic activity
GO:0003906 DNA-(apurinic or apyrimidinic site) endonuclease activity
GO:0004519 endonuclease activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006281 DNA repair
GO:0006284 base-excision repair
GO:0006285 base-excision repair, AP site formation
GO:0006289 nucleotide-excision repair

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8a5c, PDBe:8a5c, PDBj:8a5c
PDBsum8a5c
PubMed35807515
UniProtQ9RRQ0

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