2AU6

Crystal structure of catalytic intermediate of inorganic pyrophosphatase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0004427	molecular_function	inorganic diphosphate phosphatase activity
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006796	biological_process	phosphate-containing compound metabolic process
A	0008270	molecular_function	zinc ion binding
A	0016020	cellular_component	membrane
A	0016787	molecular_function	hydrolase activity
A	0046872	molecular_function	metal ion binding
A	0050355	molecular_function	inorganic triphosphate phosphatase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE PO4 A 180

Chain	Residue
A	LYS29
A	MN202
A	MN203
A	MN204
A	CL208
A	HOH353
A	HOH515
A	HOH553
A	GLU31
A	TYR55
A	ASP65
A	ASP67
A	ASP70
A	ASP102
A	LYS104
A	MN201

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MN A 201

Chain	Residue
A	ASP65
A	ASP70
A	ASP102
A	PO4180
A	POP182
A	F211
A	HOH322

---

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MN A 202

Chain	Residue
A	ASP70
A	PO4180
A	POP182
A	F211
A	HOH308
A	HOH315
A	HOH352
A	HOH353

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MN A 203

Chain	Residue
A	ASP97
A	ASP102
A	PO4180
A	POP182
A	CL208
A	HOH364
A	HOH515

---

site_id	AC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE MN A 204

Chain	Residue
A	GLU31
A	ASP67
A	PO4180
A	POP182
A	HOH358
A	HOH378
A	HOH479
A	HOH480
A	HOH553

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MN A 205

Chain	Residue
A	NA207
A	HOH477
A	HOH587
A	HOH588

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA A 206

Chain	Residue
A	LYS142
A	GLU145
A	LYS148
A	HOH335
A	HOH392
A	HOH476

---

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE NA A 207

Chain	Residue
A	ASN24
A	MN205
A	HOH310
A	HOH324
A	HOH355
A	HOH477
A	HOH588

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CL A 208

Chain	Residue
A	ASP97
A	ASP102
A	LYS104
A	TYR141
A	PO4180
A	POP182
A	MN203

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 209

Chain	Residue
A	ALA7
A	GLY8
A	HIS60
A	HOH478

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 210

Chain	Residue
A	LYS131
A	TRP155
A	HOH495
A	HOH586

---

site_id	BC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE F A 211

Chain	Residue
A	ASP65
A	ASP67
A	ASP70
A	POP182
A	MN201
A	MN202
A	HOH315
A	HOH322
A	HOH553

---

site_id	BC4
Number of Residues	28
Details	BINDING SITE FOR RESIDUE POP A 182

Chain	Residue
A	LYS142
A	MN201
A	MN202
A	MN203
A	MN204
A	CL208
A	F211
A	HOH350
A	HOH352
A	HOH353
A	HOH358
A	HOH364
A	HOH378
A	HOH515
A	HOH532
A	HOH550
A	HOH553
A	LYS29
A	GLU31
A	ARG43
A	TYR55
A	ASP65
A	ASP67
A	ASP70
A	ASP97
A	ASP102
A	LYS104
A	TYR141

---

Functional Information from PROSITE/UniProt

site_id	PS00387
Number of Residues	7
Details	PPASE Inorganic pyrophosphatase signature. DGDPVDV

Chain	Residue	Details
A	ASP65-VAL71

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	7
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00209","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	Annotated By Reference To The Literature 1wgi

Chain	Residue	Details
A	ASP67

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