3PN1

Novel Bacterial NAD+-dependent DNA Ligase Inhibitors with Broad Spectrum Potency and Antibacterial Efficacy In Vivo

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	13
Details	BINDING SITE FOR RESIDUE IVH A 319

Chain	Residue
A	LEU82
A	VAL289
A	LYS291
A	HOH397
A	HOH534
A	GLU114
A	PRO115
A	LYS116
A	LEU117
A	ALA121
A	ARG137
A	GLU174
A	TYR226

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site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE IWH A 320

Chain	Residue
A	TYR18
A	TYR22
A	HIS23
A	ASN27
A	VAL30
A	PRO31
A	ASP32
A	TYR35
A	HOH329
A	HOH346

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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. KLDGLAvsilYvnGeLtqaaTRGDGttGED

Chain	Residue	Details
A	LYS116-ASP145

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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	LYS116

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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	GLU114
A	ARG137
A	GLU174
A	LYS291
A	LYS315

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