Structure of PDB 7rdt Chain A Binding Site BS01

Receptor Information
>7rdt Chain A (length=215) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VWEPQDWQQQLVNIRAMRNKKTELNFSSPKVRRYQVLLSLMLSSQTKDQV
TAGAMQRLRARGLTVDSILQTDDATLGKLIYPVGFWRSKVKYIKQTSAIL
QQHYGGDIPASVAELVALPGVGPKMAHLAMAVAWGTVSGIAVDTHVHRIA
NRLRWTKKATKSPEETRAALEEWLPRELWHEINGLLVGFGQQTCLPVHPR
CHACLNQALCPAAQG
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 chain7rdt 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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PDB7rdt Caught in motion: human NTHL1 undergoes interdomain rearrangement necessary for catalysis.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F278 C283 P288 C290 C293 C299
Binding residue
(residue number reindexed from 1)		F189 C194 P199 C201 C204 C210
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.2.-
4.2.99.18: DNA-(apurinic or apyrimidinic site) lyase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003824 catalytic activity
GO:0003906 DNA-(apurinic or apyrimidinic site) endonuclease activity
GO:0019104 DNA N-glycosylase activity
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
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7rdt, PDBe:7rdt, PDBj:7rdt
PDBsum7rdt
PubMed34871433
UniProtP78549|NTH_HUMAN Endonuclease III-like protein 1 (Gene Name=NTHL1)

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