Structure of PDB 4ucr Chain A

Receptor sequence
>4ucrA (length=317) Species: 727 (Haemophilus influenzae) [Search protein sequence]
MTNIQTQLDNLRKTLRQYEYEYHVLDNPSVPDSEYDRLFHQLKALELEHP
EFLTSDSPTQRVGAKPLSGFSQIRHEIPMLSLDNAFSDAEFNAFVKRIED
RLILLPKPLTFCCEPKLDGLAVSILYVNGELTQAATRGDGTTGEDITANI
RTIRNVPLQLLTDNPPARLEVRGEVFMPHAGFERLNKYALEHNEKTFANP
RNAAAGSLRQLDPNITSKRPLVLNAYGIGIAEGVDLPTTHYARLQWLKSI
GIPVNPEIRLCNGADEVLGFYRDIQNKRSSLGYDIDGTVLKINDIALQNE
LGFISKAPRWAIAYKFP
3D structure
PDB4ucr From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
ChainA
Resolution2.15 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 IWH A Y22 D32 Y35 Y22 D32 Y35
BS02 JCF A L82 E114 L117 E174 Y226 V289 K291 L82 E114 L117 E174 Y226 V289 K291 PDBbind-CN: -logKd/Ki=3.30,IC50>500uM
Gene Ontology
Molecular Function
GO:0003911 DNA ligase (NAD+) activity

View graph for
Molecular Function
External links
PDB RCSB:4ucr, PDBe:4ucr, PDBj:4ucr
PDBsum4ucr
PubMed
UniProtP43813|DNLJ_HAEIN DNA ligase (Gene Name=ligA)

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