6LW8

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	1
Details	binding site for residue GOL A 501

Chain	Residue
A	GLY243

---

site_id	AC2
Number of Residues	6
Details	binding site for residue EWO A 502

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

---

site_id	AC3
Number of Residues	5
Details	binding site for residue SO4 A 503

Chain	Residue
A	ARG228
A	ARG229
A	HOH615
A	LYS204
A	VAL225

---

site_id	AC4
Number of Residues	4
Details	binding site for residue SO4 A 504

Chain	Residue
A	LYS204
A	PHE207
A	GLN220
A	ARG229

---

site_id	AC5
Number of Residues	5
Details	binding site for residue SO4 A 505

Chain	Residue
A	GLY126
A	VAL127
A	ALA128
A	ARG144
A	HOH607

---

site_id	AC6
Number of Residues	5
Details	binding site for residue SO4 A 506

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

---

site_id	AC7
Number of Residues	6
Details	binding site for residue SO4 A 507

Chain	Residue
A	ALA98
A	LEU101
A	ARG277
A	ILE280
A	ASP281
A	TYR323

---

site_id	AC8
Number of Residues	3
Details	binding site for residue SO4 A 508

Chain	Residue
A	ASN94
A	LYS123
A	LYS324

---

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

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"N6-AMP-lysine intermediate","evidences":[{"source":"HAMAP-Rule","id":"MF_01588","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01588","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01588","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"15901723","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---