4CC6

Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003911	molecular_function	DNA ligase (NAD+) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 1310

Chain	Residue
A	ALA117
A	ARG133
A	ARG194
A	HOH2051

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site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE L5Y A 1311

Chain	Residue
A	ILE113
A	GLU167
A	TYR219
A	LYS283
A	PRO300
A	ALA303
A	LEU80
A	LEU82
A	GLU110
A	LEU111
A	LYS112

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Functional Information from PROSITE/UniProt

site_id	PS01055
Number of Residues	30
Details	DNA_LIGASE_N1 NAD-dependent DNA ligase signature 1. KIDGLAvslkYvdGyFvqglTRGDGttGED

Chain	Residue	Details
A	LYS112-ASP141

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: N6-AMP-lysine intermediate => ECO:0000255|HAMAP-Rule:MF_01588

Chain	Residue	Details
A	LYS112

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site_id	SWS_FT_FI2
Number of Residues	7
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01588

Chain	Residue	Details
A	ASP32
A	SER81
A	GLU110
A	ARG133
A	GLU167
A	LYS283
A	LYS307

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