6U1I

Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphorylated D-cycloserine, Mg2+ and K+

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0008716	molecular_function	D-alanine-D-alanine ligase activity
A	0009252	biological_process	peptidoglycan biosynthetic process
A	0046872	molecular_function	metal ion binding
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0008716	molecular_function	D-alanine-D-alanine ligase activity
B	0009252	biological_process	peptidoglycan biosynthetic process
B	0046872	molecular_function	metal ion binding
C	0005524	molecular_function	ATP binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0008716	molecular_function	D-alanine-D-alanine ligase activity
C	0009252	biological_process	peptidoglycan biosynthetic process
C	0046872	molecular_function	metal ion binding
D	0005524	molecular_function	ATP binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0008716	molecular_function	D-alanine-D-alanine ligase activity
D	0009252	biological_process	peptidoglycan biosynthetic process
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	binding site for residue ADP A 401

Chain	Residue
A	PHE151
A	ASN281
A	GLU282
A	HOH507
A	HOH547
A	LYS153
A	GLY158
A	GLU189
A	LYS190
A	ALA191
A	LEU192
A	GLU197
A	PHE272

---

site_id	AC2
Number of Residues	7
Details	binding site for residue MG C 401

Chain	Residue
C	ASP270
C	GLU282
C	MG402
C	ADP404
C	DS0405
C	HOH502
C	HOH514

---

site_id	AC3
Number of Residues	7
Details	binding site for residue MG C 402

Chain	Residue
C	GLU282
C	ASN284
C	MG401
C	K403
C	ADP404
C	DS0405
C	HOH540

---

site_id	AC4
Number of Residues	7
Details	binding site for residue K C 403

Chain	Residue
C	CYS113
C	GLU282
C	LEU283
C	ASN284
C	MG402
C	HOH540
C	HOH570

---

site_id	AC5
Number of Residues	24
Details	binding site for residue ADP C 404

Chain	Residue
C	LYS116
C	PHE151
C	LYS153
C	THR157
C	GLY158
C	SER159
C	SER160
C	ILE163
C	GLU189
C	LYS190
C	ALA191
C	LEU192
C	GLU197
C	TYR218
C	PHE222
C	TYR223
C	LYS228
C	PHE272
C	ASN281
C	GLU282
C	MG401
C	MG402
C	DS0405
C	HOH514

---

site_id	AC6
Number of Residues	16
Details	binding site for residue DS0 C 405

Chain	Residue
C	GLU13
C	HIS82
C	SER159
C	LYS228
C	TYR229
C	ARG268
C	GLU282
C	ASN284
C	ILE286
C	PRO287
C	GLY288
C	MG401
C	MG402
C	ADP404
C	HOH502
C	HOH552

---

Functional Information from PROSITE/UniProt

site_id	PS00843
Number of Residues	12
Details	DALA_DALA_LIGASE_1 D-alanine--D-alanine ligase signature 1. HGrfGEDGtVQG

Chain	Residue	Details
A	HIS82-GLY93

---

site_id	PS00844
Number of Residues	28
Details	DALA_DALA_LIGASE_2 D-alanine--D-alanine ligase signature 2. LgvrGmARVDFFlaegely.....LnELNTiPG

Chain	Residue	Details
A	LEU261-GLY288

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	114
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00047","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	195
Details	Domain: {"description":"ATP-grasp","evidences":[{"source":"HAMAP-Rule","id":"MF_00047","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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