4UFZ

Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies

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	12
Details	BINDING SITE FOR RESIDUE IA7 A 1318

Chain	Residue
A	LEU80
A	TYR226
A	VAL289
A	LYS291
A	SER81
A	LEU82
A	GLU114
A	LYS116
A	LEU117
A	ALA121
A	ARG137
A	GLU174

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site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE IWH A 1319

Chain	Residue
A	TYR18
A	GLU21
A	TYR22
A	HIS23
A	ASN27
A	VAL30
A	PRO31
A	ASP32
A	TYR35
A	HOH2022
A	HOH2028

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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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