6U1H

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

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0008360	biological_process	regulation of cell shape
A	0008716	molecular_function	D-alanine-D-alanine ligase activity
A	0009252	biological_process	peptidoglycan biosynthetic process
A	0016874	molecular_function	ligase activity
A	0046872	molecular_function	metal ion binding
A	0071555	biological_process	cell wall organization
B	0000166	molecular_function	nucleotide binding
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0008360	biological_process	regulation of cell shape
B	0008716	molecular_function	D-alanine-D-alanine ligase activity
B	0009252	biological_process	peptidoglycan biosynthetic process
B	0016874	molecular_function	ligase activity
B	0046872	molecular_function	metal ion binding
B	0071555	biological_process	cell wall organization
C	0000166	molecular_function	nucleotide binding
C	0005524	molecular_function	ATP binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0008360	biological_process	regulation of cell shape
C	0008716	molecular_function	D-alanine-D-alanine ligase activity
C	0009252	biological_process	peptidoglycan biosynthetic process
C	0016874	molecular_function	ligase activity
C	0046872	molecular_function	metal ion binding
C	0071555	biological_process	cell wall organization
D	0000166	molecular_function	nucleotide binding
D	0005524	molecular_function	ATP binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0008360	biological_process	regulation of cell shape
D	0008716	molecular_function	D-alanine-D-alanine ligase activity
D	0009252	biological_process	peptidoglycan biosynthetic process
D	0016874	molecular_function	ligase activity
D	0046872	molecular_function	metal ion binding
D	0071555	biological_process	cell wall organization

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue MG A 401

Chain	Residue
A	GLU282
A	ASN284
A	PO4403
A	K404
A	ADP405
A	HOH567

---

site_id	AC2
Number of Residues	6
Details	binding site for residue MG A 402

Chain	Residue
A	ADP405
A	HOH503
A	HOH550
A	LYS228
A	GLU282
A	PO4403

---

site_id	AC3
Number of Residues	11
Details	binding site for residue PO4 A 403

Chain	Residue
A	SER159
A	LYS228
A	ARG268
A	ASP270
A	GLU282
A	ASN284
A	MG401
A	MG402
A	ADP405
A	HOH535
A	HOH550

---

site_id	AC4
Number of Residues	8
Details	binding site for residue K A 404

Chain	Residue
A	CYS113
A	GLU282
A	LEU283
A	ASN284
A	MG401
A	HOH558
A	HOH565
A	HOH567

---

site_id	AC5
Number of Residues	27
Details	binding site for residue ADP A 405

Chain	Residue
A	LYS116
A	VAL131
A	PHE151
A	LYS153
A	THR157
A	GLY158
A	SER159
A	SER160
A	ILE163
A	GLU189
A	LYS190
A	ALA191
A	LEU192
A	GLU197
A	TYR218
A	PHE222
A	TYR223
A	LYS228
A	PHE272
A	ASN281
A	GLU282
A	MG401
A	MG402
A	PO4403
A	HOH503
A	HOH550
A	HOH577

---

site_id	AC6
Number of Residues	4
Details	binding site for residue MG B 401

Chain	Residue
B	GLU282
B	ADP402
B	HOH506
B	HOH551

---

site_id	AC7
Number of Residues	23
Details	binding site for residue ADP B 402

Chain	Residue
B	LYS116
B	PHE151
B	LYS153
B	GLY158
B	SER159
B	SER160
B	ILE163
B	GLU189
B	LYS190
B	LEU192
B	GLU197
B	TYR218
B	PHE222
B	TYR223
B	PHE272
B	ASN281
B	GLU282
B	MG401
B	HOH506
B	HOH515
B	HOH529
B	HOH543
B	HOH551

---

site_id	AC8
Number of Residues	7
Details	binding site for residue MG C 401

Chain	Residue
C	LYS228
C	GLU282
C	MG402
C	PO4403
C	ADP405
C	HOH506
C	HOH528

---

site_id	AC9
Number of Residues	6
Details	binding site for residue MG C 402

Chain	Residue
C	GLU282
C	ASN284
C	MG401
C	PO4403
C	ADP405
C	HOH520

---

site_id	AD1
Number of Residues	12
Details	binding site for residue PO4 C 403

Chain	Residue
C	LYS228
C	ARG268
C	ASP270
C	GLU282
C	ASN284
C	MG401
C	MG402
C	ADP405
C	HOH531
C	HOH534
C	HOH560
C	SER159

---

site_id	AD2
Number of Residues	6
Details	binding site for residue K C 404

Chain	Residue
C	CYS113
C	GLU282
C	LEU283
C	ASN284
C	HOH559
C	HOH567

---

site_id	AD3
Number of Residues	25
Details	binding site for residue ADP C 405

Chain	Residue
C	LYS116
C	PHE151
C	LYS153
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	PO4403
C	HOH506
C	HOH528
C	HOH533

---

site_id	AD4
Number of Residues	14
Details	binding site for residue ADP D 401

Chain	Residue
D	LYS116
D	PHE151
D	LYS153
D	GLY158
D	ILE163
D	GLU189
D	LYS190
D	LEU192
D	VAL195
D	GLU197
D	PHE272
D	ASN281
D	GLU282
D	HOH501

---

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	390
Details	Domain: {"description":"ATP-grasp","evidences":[{"source":"HAMAP-Rule","id":"MF_00047","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	165
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00047","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---