Structure of PDB 3pn1 Chain A

Receptor sequence
>3pn1A (length=318) Species: 727 (Haemophilus influenzae) [Search protein sequence]
MTNIQTQLDNLRKTLRQYEYEYHVLDNPSVPDSEYDRLFHQLKALELEHP
EFLTSDSPTQRVGAKPLSGFSQIRHEIPMLSLDNAFSDAEFNAFVKRIED
RLILLPKPLTFCCEPKLDGLAVSILYVNGELTQAATRGDGTTGEDITANI
RTIRNVPLQLLTDNPPARLEVRGEVFMPHAGFERLNKYALEHNEKTFANP
RNAAAGSLRQLDPNITSKRPLVLNAYGIGIAEGVDLPTTHYARLQWLKSI
GIPVNPEIRLCNGADEVLGFYRDIQNKRSSLGYDIDGTVLKINDIALQNE
LGFISKAPRWAIAYKFPA
3D structure
PDB3pn1 Novel Bacterial NAD+-Dependent DNA Ligase Inhibitors with Broad-Spectrum Activity and Antibacterial Efficacy In Vivo.
ChainA
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) E114 K116 D118 Y226 K315
Catalytic site (residue number reindexed from 1) E114 K116 D118 Y226 K315
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 IVH A L82 E114 K116 L117 E174 Y226 V289 K291 P308 L82 E114 K116 L117 E174 Y226 V289 K291 P308 MOAD: Ki=110nM
PDBbind-CN: -logKd/Ki=6.96,Ki=110nM
BS02 IWH A Y22 D32 Y35 Y22 D32 Y35
Gene Ontology
Molecular Function
GO:0003911 DNA ligase (NAD+) activity

View graph for
Molecular Function
External links
PDB RCSB:3pn1, PDBe:3pn1, PDBj:3pn1
PDBsum3pn1
PubMed21189350
UniProtP43813|DNLJ_HAEIN DNA ligase (Gene Name=ligA)

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