Structure of PDB 8a5g Chain A Binding Site BS01

Receptor Information
>8a5g Chain A (length=238) 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]
SRPLSEQNPPPVWFGEYLSRLRDTYAPELPPPRQFPDPLGGLIRTILSQQ
NTRRVAQRQWEVLTATYPQWEAALLDGPDGIEATLKSAGGGLSRMKADYI
YGILAHLQEHHGGLSLRFLREFPHTPEGHEQARQALAALPGVGHKTVALV
LLFDLRRPAMPVDTHMERAAKRLELVPAAWNSHKVERWYAEVMPADWETR
FALHISGVRHGRDTCRSKHPLCPQCPLREFCPSASIFE
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 chain8a5g Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8a5g Disentangling Unusual Catalytic Properties and the Role of the [4Fe-4S] Cluster of Three Endonuclease III from the Extremophile D. radiodurans.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		R258 L259 H296 C301 C308 C311 C317 S319 F323
Binding residue
(residue number reindexed from 1)		R172 L173 H210 C215 C222 C225 C231 S233 F237
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006281 DNA repair
GO:0006284 base-excision repair

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Molecular Function
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Biological Process
External links
PDB RCSB:8a5g, PDBe:8a5g, PDBj:8a5g
PDBsum8a5g
PubMed35807515
UniProtQ9RVU4

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