Structure of PDB 6l6s Chain A Binding Site BS02

Receptor Information
>6l6s Chain A (length=207) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAQDFVPHTADLAELAAAAGECRGCGLYRDATQAVFGAGGRSARIMMIGE
QPGDKEDLAGLPFVGPAGRLLDRALEAADIDRDALYVTNAVKHFKFTRAA
GGKRRIEKTPSRTEVVACRPWLIAEMTSVEPDVVVLLGATAAKALLGNDF
RVTQHRGEVLHVDDVPGDPALVATVHPSSLLRGPKEERESAFAGLVDDLR
VAADVRP
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 chain6l6s 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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PDB6l6s Structural insights into an MsmUdgX mutant capable of both crosslinking and uracil excision capability.
Resolution2.06426 Å
Binding residue
(original residue number in PDB)		A4 C24 G26 C27 K94 H95 C120 W123
Binding residue
(residue number reindexed from 1)		A2 C22 G24 C25 K92 H93 C118 W121
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0004844 uracil DNA N-glycosylase activity
GO:0016779 nucleotidyltransferase 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:6l6s, PDBe:6l6s, PDBj:6l6s
PDBsum6l6s
PubMed33248387
UniProtI7F541

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