6KRH

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	11
Details	binding site for residue AMP A 401

Chain	Residue
A	SER91
A	LYS324
A	HOH532
A	ASN94
A	GLU121
A	LEU122
A	LYS123
A	ILE124
A	TYR236
A	VAL298
A	LYS300

---

site_id	AC2
Number of Residues	8
Details	binding site for residue NMN A 402

Chain	Residue
A	HIS27
A	TYR31
A	TYR32
A	PRO37
A	ILE39
A	SER40
A	PHE44
A	ASP45

---

site_id	AC3
Number of Residues	4
Details	binding site for residue SO4 A 403

Chain	Residue
A	ARG134
A	ARG134
A	THR139
A	ARG140

---

site_id	AC4
Number of Residues	5
Details	binding site for residue SO4 A 404

Chain	Residue
A	PRO11
A	ARG30
A	ARG34
A	PRO164
A	GLU165

---

site_id	AC5
Number of Residues	4
Details	binding site for residue SO4 A 405

Chain	Residue
A	HIS266
A	VAL290
A	ASP291
A	SO4406

---

site_id	AC6
Number of Residues	5
Details	binding site for residue SO4 A 406

Chain	Residue
A	SER264
A	GLU265
A	HIS266
A	HIS292
A	SO4405

---

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

---