4Z71

Crystal structure of inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with Mg ions

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	0005576	cellular_component	extracellular region
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0005886	cellular_component	plasma membrane
A	0006796	biological_process	phosphate-containing compound metabolic process
A	0016787	molecular_function	hydrolase activity
A	0044228	cellular_component	host cell surface
A	0046872	molecular_function	metal ion binding
B	0000287	molecular_function	magnesium ion binding
B	0004427	molecular_function	inorganic diphosphate phosphatase activity
B	0005576	cellular_component	extracellular region
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0005886	cellular_component	plasma membrane
B	0006796	biological_process	phosphate-containing compound metabolic process
B	0016787	molecular_function	hydrolase activity
B	0044228	cellular_component	host cell surface
B	0046872	molecular_function	metal ion binding
C	0000287	molecular_function	magnesium ion binding
C	0004427	molecular_function	inorganic diphosphate phosphatase activity
C	0005576	cellular_component	extracellular region
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0005886	cellular_component	plasma membrane
C	0006796	biological_process	phosphate-containing compound metabolic process
C	0016787	molecular_function	hydrolase activity
C	0044228	cellular_component	host cell surface
C	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue MG A 500

Chain	Residue
A	ASP52
A	ASP57
A	HOH602
A	HOH616
A	HOH624
A	HOH719

---

site_id	AC2
Number of Residues	4
Details	binding site for residue MG A 501

Chain	Residue
A	HOH787
A	ASP89
A	HOH611
A	HOH754

---

site_id	AC3
Number of Residues	4
Details	binding site for residue MG A 502

Chain	Residue
A	LYS133
A	HOH601
A	HOH659
A	HOH743

---

site_id	AC4
Number of Residues	6
Details	binding site for residue MG B 500

Chain	Residue
B	ASP52
B	ASP57
B	ASP89
B	HOH602
B	HOH606
B	HOH657

---

site_id	AC5
Number of Residues	6
Details	binding site for residue MG B 501

Chain	Residue
B	HOH617
B	HOH646
B	HOH677
B	HOH734
B	HOH778
B	HOH790

---

site_id	AC6
Number of Residues	5
Details	binding site for residue MG C 500

Chain	Residue
C	ASP52
C	ASP57
C	ASP89
C	HOH616
C	HOH655

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ASP52-ALA58

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	ACT_SITE: Proton acceptor => ECO:0000305|PubMed:26296329

Chain	Residue	Details
A	ASP89
B	ASP89
C	ASP89

---

site_id	SWS_FT_FI2
Number of Residues	15
Details	BINDING: BINDING => ECO:0000305|PubMed:26296329

Chain	Residue	Details
B	ASP52
B	ASP57
B	ASP84
B	ASP89
C	GLU8
C	ASP52
C	ASP57
C	ASP84
C	ASP89
A	GLU8
A	ASP52
A	ASP57
A	ASP84
A	ASP89
B	GLU8

---

site_id	SWS_FT_FI3
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269|PubMed:26296329

Chain	Residue	Details
A	TYR126
B	LYS16
B	ARG30
B	TYR42
B	TYR126
C	LYS16
C	ARG30
C	TYR42
C	TYR126
A	LYS16
A	ARG30
A	TYR42

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	6
Details	M-CSA 916

Chain	Residue	Details
A	GLU8	metal ligand
A	TYR42
A	ASP52	metal ligand
A	ASP57	metal ligand
A	ASP84	metal ligand
A	ASP89	activator, metal ligand, proton acceptor

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