Structure of PDB 4cc6 Chain A

Receptor sequence
>4cc6A (length=308) Species: 1280 (Staphylococcus aureus) [Search protein sequence]
ADLSSRVNELHDLLNQYSYEYYVEDNPSVPDSEYDKLLHELIKIEEEHPE
YKTVDSPTVRVGGEAQASFNKVNHDTPMLSLGNAFNEDDLRKFDQRIREQ
IGNVEYMCELKIDGLAVSLKYVDGYFVQGLTRGDGTTGEDITENLKTIHA
IPLKMKEPLNVEVRGEAYMPRRSFLRLNEEKEKNDEQLFANPRNAAAGSL
RQLDSKLTAKRKLSVFIYSVNDFTDFNARSQSEALDELDKLGFTTNKNRA
RVNNIDGVLEYIEKWTSQRESLPYDIDGIVIKVNDLDQQDEMGFTQKSPR
WAIAYKFP
3D structure
PDB4cc6 Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.
ChainA
Resolution2.01 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) E110 K112 D114 Y219 K307
Catalytic site (residue number reindexed from 1) E109 K111 D113 Y218 K306
Enzyme Commision number 6.5.1.2: DNA ligase (NAD(+)).
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 L5Y A L80 L82 E110 L111 K112 I113 Y219 K283 L79 L81 E109 L110 K111 I112 Y218 K282 MOAD: ic50=0.23uM
PDBbind-CN: -logKd/Ki=6.64,IC50=0.23uM
BindingDB: IC50=230nM
Gene Ontology
Molecular Function
GO:0003911 DNA ligase (NAD+) activity

View graph for
Molecular Function
External links
PDB RCSB:4cc6, PDBe:4cc6, PDBj:4cc6
PDBsum4cc6
PubMed24900632
UniProtQ9AIU7|DNLJ_STAAU DNA ligase (Gene Name=ligA)

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