Structure of PDB 6ajo Chain A Binding Site BS02

Receptor Information
>6ajo Chain A (length=202) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGAQDFVPHTADLAELAAAAGECRGCGLYRDATQAVFGAGGRSARIMMIG
EQPGDKEDLAGLPFVGPAGRLLDRALEAADIDRDALYVTNAVKHFKFTRR
RIHKTPSRTEVVACRPWLIAEMTSVEPDVVVLLGATAAKALLGNDFRVTQ
HRGEVLHVDDVPGDPALVATVHPSSLLRGPKEERESAFAGLVDDLRVAAD
VR
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 chain6ajo 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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PDB6ajo Covalent binding of uracil DNA glycosylase UdgX to abasic DNA upon uracil excision.
Resolution2.269 Å
Binding residue
(original residue number in PDB)		C24 G26 C27 K94 H95 C120 W123
Binding residue
(residue number reindexed from 1)		C23 G25 C26 K93 H94 C114 W117
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004844 uracil DNA N-glycosylase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0097506 deaminated base DNA N-glycosylase activity
Biological Process
GO:0006281 DNA repair

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Molecular Function
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Biological Process
External links
PDB RCSB:6ajo, PDBe:6ajo, PDBj:6ajo
PDBsum6ajo
PubMed31101917
UniProtA0QP43

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