6KKV

Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis

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	8
Details	binding site for residue DKR A 401

Chain	Residue
A	HIS27
A	TYR31
A	TYR32
A	PRO37
A	ILE39
A	SER40
A	ASP41
A	PHE44

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site_id	AC2
Number of Residues	5
Details	binding site for residue SO4 A 402

Chain	Residue
A	ARG30
A	ARG34
A	VAL163
A	GLU165
A	PRO11

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site_id	AC3
Number of Residues	5
Details	binding site for residue SO4 A 403

Chain	Residue
A	GLY126
A	VAL127
A	ALA128
A	ARG144
A	HOH502

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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. KIDGVAlslvYreGrLtrasTRGDGrtGED

Chain	Residue	Details
A	LYS123-ASP152

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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	LYS123

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site_id	SWS_FT_FI2
Number of Residues	3
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01588

Chain	Residue	Details
A	ASP41
A	GLU121
A	LYS324

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site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01588, ECO:0000305|PubMed:15901723

Chain	Residue	Details
A	SER91
A	ARG144
A	GLU184
A	LYS300

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