Structure of PDB 4cc5 Chain A

Receptor sequence
>4cc5A (length=308) Species: 1280 (Staphylococcus aureus) [Search protein sequence]
ADLSSRVNELHDLLNQYSYEYYVEDNPSVPDSEYDKLLHELIKIEEEHPE
YKTVDSPTVRVGGEAQASFNKVNHDTPMLSLGNAFNEDDLRKFDQRIREQ
IGNVEYMCELKIDGLAVSLKYVDGYFVQGLTRGDGTTGEDITENLKTIHA
IPLKMKEPLNVEVRGEAYMPRRSFLRLNEEKEKNDEQLFANPRNAAAGSL
RQLDSKLTAKRKLSVFIYSVNDFTDFNARSQSEALDELDKLGFTTNKNRA
RVNNIDGVLEYIEKWTSQRESLPYDIDGIVIKVNDLDQQDEMGFTQKSPR
WAIAYKFP
3D structure
PDB4cc5 Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.
ChainA
Resolution1.88 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 L5V A L82 E110 Y219 K283 L81 E109 Y218 K282 MOAD: Kd=38uM
PDBbind-CN: -logKd/Ki=4.42,Kd=38uM
Gene Ontology
Molecular Function
GO:0003911 DNA ligase (NAD+) activity

View graph for
Molecular Function
External links
PDB RCSB:4cc5, PDBe:4cc5, PDBj:4cc5
PDBsum4cc5
PubMed24900632
UniProtQ9AIU7|DNLJ_STAAU DNA ligase (Gene Name=ligA)

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