6U1J

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

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
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	0003824	molecular_function	catalytic activity
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	0003824	molecular_function	catalytic activity
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	0003824	molecular_function	catalytic activity
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	5
Details	binding site for residue MG A 403

Chain	Residue
A	GLU282
A	PO4405
A	ADP407
A	HOH507
A	HOH551

---

site_id	AC2
Number of Residues	7
Details	binding site for residue MG A 404

Chain	Residue
A	K406
A	ADP407
A	HOH544
A	LYS116
A	GLU282
A	ASN284
A	PO4405

---

site_id	AC3
Number of Residues	13
Details	binding site for residue PO4 A 405

Chain	Residue
A	SER159
A	LYS228
A	ARG268
A	GLU282
A	ASN284
A	DAL401
A	DAL402
A	MG403
A	MG404
A	ADP407
A	HOH507
A	HOH551
A	HOH585

---

site_id	AC4
Number of Residues	8
Details	binding site for residue K A 406

Chain	Residue
A	CYS113
A	GLU282
A	LEU283
A	ASN284
A	MG404
A	HOH526
A	HOH544
A	HOH587

---

site_id	AC5
Number of Residues	23
Details	binding site for residue ADP A 407

Chain	Residue
A	LYS116
A	PHE151
A	LYS153
A	GLY158
A	SER159
A	SER160
A	ILE163
A	GLU189
A	LYS190
A	LEU192
A	GLU197
A	TYR218
A	TYR223
A	LYS228
A	PHE272
A	ASN281
A	GLU282
A	MG403
A	MG404
A	PO4405
A	HOH507
A	HOH551
A	HOH563

---

site_id	AC6
Number of Residues	6
Details	binding site for residue MG C 403

Chain	Residue
C	GLU282
C	MG404
C	PO4405
C	ADP407
C	HOH515
C	HOH523

---

site_id	AC7
Number of Residues	7
Details	binding site for residue MG C 404

Chain	Residue
C	GLU282
C	ASN284
C	MG403
C	PO4405
C	K406
C	ADP407
C	HOH535

---

site_id	AC8
Number of Residues	14
Details	binding site for residue PO4 C 405

Chain	Residue
C	SER159
C	LYS228
C	ARG268
C	GLU282
C	ASN284
C	DAL401
C	DAL402
C	MG403
C	MG404
C	ADP407
C	HOH515
C	HOH523
C	HOH535
C	HOH573

---

site_id	AC9
Number of Residues	8
Details	binding site for residue K C 406

Chain	Residue
C	CYS113
C	GLU282
C	LEU283
C	ASN284
C	MG404
C	HOH535
C	HOH545
C	HOH558

---

site_id	AD1
Number of Residues	24
Details	binding site for residue ADP C 407

Chain	Residue
C	GLU189
C	LYS190
C	LEU192
C	GLU197
C	TYR218
C	PHE222
C	TYR223
C	LYS228
C	PHE272
C	ASN281
C	GLU282
C	MG403
C	MG404
C	PO4405
C	HOH515
C	HOH523
C	LYS116
C	PHE151
C	LYS153
C	THR157
C	GLY158
C	SER159
C	SER160
C	ILE163

---

site_id	AD2
Number of Residues	13
Details	binding site for Di-peptide DAL A 401 and DAL A 402

Chain	Residue
A	GLU13
A	HIS82
A	SER159
A	TYR223
A	TYR229
A	ARG268
A	GLY288
A	SER293
A	MET294
A	PO4405
A	HOH514
A	HOH524
A	HOH531

---

site_id	AD3
Number of Residues	13
Details	binding site for Di-peptide DAL C 401 and DAL C 402

Chain	Residue
C	GLU13
C	HIS82
C	SER159
C	LYS228
C	TYR229
C	ARG268
C	GLY288
C	SER293
C	MET294
C	PO4405
C	HOH526
C	HOH531
C	HOH544

---

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	16
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00047

Chain	Residue	Details
B	ASP147
B	ASP270
B	GLU282
B	ASN284
C	ASP147
C	ASP270
C	GLU282
C	ASN284
D	ASP147
D	ASP270
D	GLU282
D	ASN284
A	ASP147
A	ASP270
A	GLU282
A	ASN284

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