4Z74
Crystal structure of inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inorganic pyrophosphate
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 |
D | 0000287 | molecular_function | magnesium ion binding |
D | 0004427 | molecular_function | inorganic diphosphate phosphatase activity |
D | 0005576 | cellular_component | extracellular region |
D | 0005737 | cellular_component | cytoplasm |
D | 0005829 | cellular_component | cytosol |
D | 0005886 | cellular_component | plasma membrane |
D | 0006796 | biological_process | phosphate-containing compound metabolic process |
D | 0016787 | molecular_function | hydrolase activity |
D | 0044228 | cellular_component | host cell surface |
D | 0046872 | molecular_function | metal ion binding |
E | 0000287 | molecular_function | magnesium ion binding |
E | 0004427 | molecular_function | inorganic diphosphate phosphatase activity |
E | 0005576 | cellular_component | extracellular region |
E | 0005737 | cellular_component | cytoplasm |
E | 0005829 | cellular_component | cytosol |
E | 0005886 | cellular_component | plasma membrane |
E | 0006796 | biological_process | phosphate-containing compound metabolic process |
E | 0016787 | molecular_function | hydrolase activity |
E | 0044228 | cellular_component | host cell surface |
E | 0046872 | molecular_function | metal ion binding |
F | 0000287 | molecular_function | magnesium ion binding |
F | 0004427 | molecular_function | inorganic diphosphate phosphatase activity |
F | 0005576 | cellular_component | extracellular region |
F | 0005737 | cellular_component | cytoplasm |
F | 0005829 | cellular_component | cytosol |
F | 0005886 | cellular_component | plasma membrane |
F | 0006796 | biological_process | phosphate-containing compound metabolic process |
F | 0016787 | molecular_function | hydrolase activity |
F | 0044228 | cellular_component | host cell surface |
F | 0046872 | molecular_function | metal ion binding |
G | 0000287 | molecular_function | magnesium ion binding |
G | 0004427 | molecular_function | inorganic diphosphate phosphatase activity |
G | 0005576 | cellular_component | extracellular region |
G | 0005737 | cellular_component | cytoplasm |
G | 0005829 | cellular_component | cytosol |
G | 0005886 | cellular_component | plasma membrane |
G | 0006796 | biological_process | phosphate-containing compound metabolic process |
G | 0016787 | molecular_function | hydrolase activity |
G | 0044228 | cellular_component | host cell surface |
G | 0046872 | molecular_function | metal ion binding |
H | 0000287 | molecular_function | magnesium ion binding |
H | 0004427 | molecular_function | inorganic diphosphate phosphatase activity |
H | 0005576 | cellular_component | extracellular region |
H | 0005737 | cellular_component | cytoplasm |
H | 0005829 | cellular_component | cytosol |
H | 0005886 | cellular_component | plasma membrane |
H | 0006796 | biological_process | phosphate-containing compound metabolic process |
H | 0016787 | molecular_function | hydrolase activity |
H | 0044228 | cellular_component | host cell surface |
H | 0046872 | molecular_function | metal ion binding |
I | 0000287 | molecular_function | magnesium ion binding |
I | 0004427 | molecular_function | inorganic diphosphate phosphatase activity |
I | 0005576 | cellular_component | extracellular region |
I | 0005737 | cellular_component | cytoplasm |
I | 0005829 | cellular_component | cytosol |
I | 0005886 | cellular_component | plasma membrane |
I | 0006796 | biological_process | phosphate-containing compound metabolic process |
I | 0016787 | molecular_function | hydrolase activity |
I | 0044228 | cellular_component | host cell surface |
I | 0046872 | molecular_function | metal ion binding |
J | 0000287 | molecular_function | magnesium ion binding |
J | 0004427 | molecular_function | inorganic diphosphate phosphatase activity |
J | 0005576 | cellular_component | extracellular region |
J | 0005737 | cellular_component | cytoplasm |
J | 0005829 | cellular_component | cytosol |
J | 0005886 | cellular_component | plasma membrane |
J | 0006796 | biological_process | phosphate-containing compound metabolic process |
J | 0016787 | molecular_function | hydrolase activity |
J | 0044228 | cellular_component | host cell surface |
J | 0046872 | molecular_function | metal ion binding |
K | 0000287 | molecular_function | magnesium ion binding |
K | 0004427 | molecular_function | inorganic diphosphate phosphatase activity |
K | 0005576 | cellular_component | extracellular region |
K | 0005737 | cellular_component | cytoplasm |
K | 0005829 | cellular_component | cytosol |
K | 0005886 | cellular_component | plasma membrane |
K | 0006796 | biological_process | phosphate-containing compound metabolic process |
K | 0016787 | molecular_function | hydrolase activity |
K | 0044228 | cellular_component | host cell surface |
K | 0046872 | molecular_function | metal ion binding |
L | 0000287 | molecular_function | magnesium ion binding |
L | 0004427 | molecular_function | inorganic diphosphate phosphatase activity |
L | 0005576 | cellular_component | extracellular region |
L | 0005737 | cellular_component | cytoplasm |
L | 0005829 | cellular_component | cytosol |
L | 0005886 | cellular_component | plasma membrane |
L | 0006796 | biological_process | phosphate-containing compound metabolic process |
L | 0016787 | molecular_function | hydrolase activity |
L | 0044228 | cellular_component | host cell surface |
L | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 12 |
Details | binding site for residue POP A 201 |
Chain | Residue |
A | LYS16 |
A | HOH345 |
A | HOH354 |
A | HOH357 |
A | ARG30 |
A | TYR42 |
A | LYS91 |
A | TYR126 |
A | LYS127 |
A | CA203 |
A | HOH301 |
A | HOH302 |
site_id | AC2 |
Number of Residues | 4 |
Details | binding site for residue CA A 202 |
Chain | Residue |
A | LYS127 |
A | ASP128 |
A | GLU130 |
A | LYS133 |
site_id | AC3 |
Number of Residues | 4 |
Details | binding site for residue CA A 203 |
Chain | Residue |
A | ASP84 |
A | ASP89 |
A | POP201 |
A | HOH301 |
site_id | AC4 |
Number of Residues | 5 |
Details | binding site for residue CA A 204 |
Chain | Residue |
A | GLU8 |
A | TYR42 |
A | GLY43 |
A | ASP57 |
A | HOH357 |
site_id | AC5 |
Number of Residues | 4 |
Details | binding site for residue CA A 205 |
Chain | Residue |
A | ASP57 |
A | ASP89 |
A | HOH313 |
A | HOH365 |
site_id | AC6 |
Number of Residues | 11 |
Details | binding site for residue POP B 201 |
Chain | Residue |
B | LYS16 |
B | ARG30 |
B | TYR42 |
B | ASP89 |
B | LYS91 |
B | TYR126 |
B | LYS127 |
B | CA203 |
B | HOH304 |
B | HOH332 |
B | HOH363 |
site_id | AC7 |
Number of Residues | 5 |
Details | binding site for residue CA B 202 |
Chain | Residue |
B | GLU8 |
B | TYR42 |
B | GLY43 |
B | ASP57 |
B | HOH363 |
site_id | AC8 |
Number of Residues | 4 |
Details | binding site for residue CA B 203 |
Chain | Residue |
B | ASP84 |
B | ASP89 |
B | POP201 |
B | HOH307 |
site_id | AC9 |
Number of Residues | 4 |
Details | binding site for residue CA B 204 |
Chain | Residue |
B | LYS127 |
B | ASP128 |
B | GLU130 |
B | LYS133 |
site_id | AD1 |
Number of Residues | 3 |
Details | binding site for residue CA B 205 |
Chain | Residue |
B | ASP57 |
B | ASP89 |
B | HOH325 |
site_id | AD2 |
Number of Residues | 10 |
Details | binding site for residue POP C 201 |
Chain | Residue |
C | LYS16 |
C | ARG30 |
C | TYR42 |
C | ASP84 |
C | ASP89 |
C | TYR126 |
C | LYS127 |
C | CA205 |
C | HOH302 |
C | HOH338 |
site_id | AD3 |
Number of Residues | 4 |
Details | binding site for residue CA C 202 |
Chain | Residue |
C | PRO55 |
C | ASP57 |
C | ASP89 |
C | HOH301 |
site_id | AD4 |
Number of Residues | 4 |
Details | binding site for residue CA C 203 |
Chain | Residue |
C | LYS127 |
C | ASP128 |
C | GLU130 |
C | LYS133 |
site_id | AD5 |
Number of Residues | 5 |
Details | binding site for residue CA C 204 |
Chain | Residue |
C | GLU8 |
C | TYR42 |
C | GLY43 |
C | ASP57 |
C | HOH338 |
site_id | AD6 |
Number of Residues | 3 |
Details | binding site for residue CA C 205 |
Chain | Residue |
C | ASP84 |
C | ASP89 |
C | POP201 |
site_id | AD7 |
Number of Residues | 12 |
Details | binding site for residue POP D 201 |
Chain | Residue |
D | LYS16 |
D | ARG30 |
D | TYR42 |
D | ASP89 |
D | LYS91 |
D | TYR126 |
D | LYS127 |
D | LYS133 |
D | CA202 |
D | HOH330 |
D | HOH336 |
D | HOH341 |
site_id | AD8 |
Number of Residues | 4 |
Details | binding site for residue CA D 202 |
Chain | Residue |
D | MET82 |
D | ASP84 |
D | ASP89 |
D | POP201 |
site_id | AD9 |
Number of Residues | 4 |
Details | binding site for residue CA D 203 |
Chain | Residue |
D | ASP128 |
D | GLU130 |
D | LYS133 |
D | LYS127 |
site_id | AE1 |
Number of Residues | 5 |
Details | binding site for residue CA D 204 |
Chain | Residue |
D | GLU8 |
D | TYR42 |
D | GLY43 |
D | ASP57 |
D | HOH336 |
site_id | AE2 |
Number of Residues | 4 |
Details | binding site for residue CA D 205 |
Chain | Residue |
D | ASP57 |
D | ASP89 |
D | HOH330 |
D | HOH343 |
site_id | AE3 |
Number of Residues | 8 |
Details | binding site for residue POP F 201 |
Chain | Residue |
F | LYS16 |
F | ARG30 |
F | TYR42 |
F | ASP89 |
F | TYR126 |
F | LYS127 |
F | CA203 |
F | HOH323 |
site_id | AE4 |
Number of Residues | 4 |
Details | binding site for residue CA F 202 |
Chain | Residue |
F | GLU8 |
F | TYR42 |
F | GLY43 |
F | ASP57 |
site_id | AE5 |
Number of Residues | 4 |
Details | binding site for residue CA F 203 |
Chain | Residue |
F | ASP84 |
F | ASP89 |
F | LYS127 |
F | POP201 |
site_id | AE6 |
Number of Residues | 4 |
Details | binding site for residue CA F 204 |
Chain | Residue |
F | ASP52 |
F | PRO55 |
F | ASP57 |
F | HOH320 |
site_id | AE7 |
Number of Residues | 8 |
Details | binding site for residue POP G 201 |
Chain | Residue |
G | LYS16 |
G | ARG30 |
G | TYR42 |
G | ASP89 |
G | LYS91 |
G | TYR126 |
G | LYS127 |
G | CA202 |
site_id | AE8 |
Number of Residues | 3 |
Details | binding site for residue CA G 202 |
Chain | Residue |
G | ASP84 |
G | ASP89 |
G | POP201 |
site_id | AE9 |
Number of Residues | 4 |
Details | binding site for residue CA G 203 |
Chain | Residue |
G | ASP57 |
G | ASP89 |
G | HOH320 |
G | HOH329 |
site_id | AF1 |
Number of Residues | 4 |
Details | binding site for residue CA G 204 |
Chain | Residue |
G | LYS127 |
G | ASP128 |
G | GLU130 |
G | LYS133 |
site_id | AF2 |
Number of Residues | 4 |
Details | binding site for residue CA G 205 |
Chain | Residue |
G | GLU8 |
G | TYR42 |
G | GLY43 |
G | ASP57 |
site_id | AF3 |
Number of Residues | 9 |
Details | binding site for residue POP E 201 |
Chain | Residue |
E | LYS16 |
E | ARG30 |
E | TYR42 |
E | ASP89 |
E | TYR126 |
E | LYS127 |
E | CA202 |
E | HOH326 |
E | HOH357 |
site_id | AF4 |
Number of Residues | 3 |
Details | binding site for residue CA E 202 |
Chain | Residue |
E | ASP84 |
E | ASP89 |
E | POP201 |
site_id | AF5 |
Number of Residues | 4 |
Details | binding site for residue CA E 203 |
Chain | Residue |
E | ASP57 |
E | ASP89 |
E | HOH301 |
E | HOH337 |
site_id | AF6 |
Number of Residues | 5 |
Details | binding site for residue CA E 204 |
Chain | Residue |
E | GLU8 |
E | TYR42 |
E | GLY43 |
E | ASP57 |
E | HOH326 |
site_id | AF7 |
Number of Residues | 11 |
Details | binding site for residue POP H 201 |
Chain | Residue |
H | LYS16 |
H | ARG30 |
H | TYR42 |
H | ASP84 |
H | ASP89 |
H | LYS91 |
H | TYR126 |
H | LYS127 |
H | CA203 |
H | HOH305 |
H | HOH367 |
site_id | AF8 |
Number of Residues | 5 |
Details | binding site for residue CA H 202 |
Chain | Residue |
E | GLU155 |
H | LYS127 |
H | ASP128 |
H | GLU130 |
H | LYS133 |
site_id | AF9 |
Number of Residues | 3 |
Details | binding site for residue CA H 203 |
Chain | Residue |
H | ASP84 |
H | ASP89 |
H | POP201 |
site_id | AG1 |
Number of Residues | 5 |
Details | binding site for residue CA H 204 |
Chain | Residue |
H | GLU8 |
H | TYR42 |
H | GLY43 |
H | ASP57 |
H | HOH367 |
site_id | AG2 |
Number of Residues | 4 |
Details | binding site for residue CA H 205 |
Chain | Residue |
H | ASP57 |
H | ASP89 |
H | HOH330 |
H | HOH376 |
site_id | AG3 |
Number of Residues | 12 |
Details | binding site for residue POP I 201 |
Chain | Residue |
I | LYS16 |
I | ARG30 |
I | TYR42 |
I | ASP84 |
I | ASP89 |
I | LYS91 |
I | TYR126 |
I | LYS127 |
I | CA202 |
I | HOH301 |
I | HOH327 |
I | HOH330 |
site_id | AG4 |
Number of Residues | 4 |
Details | binding site for residue CA I 202 |
Chain | Residue |
I | ASP84 |
I | ASP89 |
I | LYS127 |
I | POP201 |
site_id | AG5 |
Number of Residues | 5 |
Details | binding site for residue CA I 203 |
Chain | Residue |
I | GLU8 |
I | TYR42 |
I | GLY43 |
I | ASP57 |
I | HOH330 |
site_id | AG6 |
Number of Residues | 5 |
Details | binding site for residue CA I 204 |
Chain | Residue |
I | LYS127 |
I | ASP128 |
I | GLU130 |
I | LYS133 |
I | HOH302 |
site_id | AG7 |
Number of Residues | 3 |
Details | binding site for residue CA I 205 |
Chain | Residue |
I | ASP57 |
I | ASP89 |
I | HOH325 |
site_id | AG8 |
Number of Residues | 10 |
Details | binding site for residue POP J 201 |
Chain | Residue |
J | LYS16 |
J | ARG30 |
J | TYR42 |
J | ASP57 |
J | ASP84 |
J | ASP89 |
J | TYR126 |
J | LYS127 |
J | CA202 |
J | HOH335 |
site_id | AG9 |
Number of Residues | 3 |
Details | binding site for residue CA J 202 |
Chain | Residue |
J | ASP84 |
J | ASP89 |
J | POP201 |
site_id | AH1 |
Number of Residues | 4 |
Details | binding site for residue CA J 203 |
Chain | Residue |
J | LYS127 |
J | ASP128 |
J | GLU130 |
J | LYS133 |
site_id | AH2 |
Number of Residues | 4 |
Details | binding site for residue CA J 204 |
Chain | Residue |
J | GLU8 |
J | TYR42 |
J | GLY43 |
J | ASP57 |
site_id | AH3 |
Number of Residues | 4 |
Details | binding site for residue CA J 205 |
Chain | Residue |
J | ASP57 |
J | ASP89 |
J | HOH331 |
J | HOH338 |
site_id | AH4 |
Number of Residues | 10 |
Details | binding site for residue POP K 201 |
Chain | Residue |
K | ARG30 |
K | TYR42 |
K | ASP57 |
K | ASP89 |
K | TYR126 |
K | LYS127 |
K | HOH302 |
K | HOH313 |
K | HOH363 |
K | HOH365 |
site_id | AH5 |
Number of Residues | 3 |
Details | binding site for residue CA K 202 |
Chain | Residue |
K | PRO55 |
K | ASP57 |
K | HOH315 |
site_id | AH6 |
Number of Residues | 5 |
Details | binding site for residue CA K 203 |
Chain | Residue |
K | GLU8 |
K | TYR42 |
K | GLY43 |
K | ASP57 |
K | HOH365 |
site_id | AH7 |
Number of Residues | 10 |
Details | binding site for residue POP L 201 |
Chain | Residue |
L | LYS16 |
L | GLU18 |
L | ARG30 |
L | TYR42 |
L | ASP89 |
L | LYS91 |
L | TYR126 |
L | LYS127 |
L | CA202 |
L | HOH322 |
site_id | AH8 |
Number of Residues | 3 |
Details | binding site for residue CA L 202 |
Chain | Residue |
L | ASP84 |
L | ASP89 |
L | POP201 |
site_id | AH9 |
Number of Residues | 5 |
Details | binding site for residue CA L 203 |
Chain | Residue |
L | LYS127 |
L | ASP128 |
L | GLU130 |
L | LYS133 |
L | HOH301 |
site_id | AI1 |
Number of Residues | 2 |
Details | binding site for residue CA L 204 |
Chain | Residue |
L | PRO55 |
L | ASP57 |
site_id | AI2 |
Number of Residues | 5 |
Details | binding site for residue CA L 205 |
Chain | Residue |
L | GLU8 |
L | TYR42 |
L | GLY43 |
L | ASP57 |
L | HOH322 |
Functional Information from PROSITE/UniProt
site_id | PS00387 |
Number of Residues | 7 |
Details | PPASE Inorganic pyrophosphatase signature. DGDPLDA |
Chain | Residue | Details |
A | ASP52-ALA58 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 12 |
Details | ACT_SITE: Proton acceptor => ECO:0000305|PubMed:26296329 |
Chain | Residue | Details |
A | ASP89 | |
J | ASP89 | |
K | ASP89 | |
L | ASP89 | |
B | ASP89 | |
C | ASP89 | |
D | ASP89 | |
F | ASP89 | |
G | ASP89 | |
E | ASP89 | |
H | ASP89 | |
I | ASP89 |
site_id | SWS_FT_FI2 |
Number of Residues | 60 |
Details | BINDING: BINDING => ECO:0000305|PubMed:26296329 |
Chain | Residue | Details |
A | GLU8 | |
B | ASP89 | |
C | GLU8 | |
C | ASP52 | |
C | ASP57 | |
C | ASP84 | |
C | ASP89 | |
D | GLU8 | |
D | ASP52 | |
D | ASP57 | |
D | ASP84 | |
A | ASP52 | |
D | ASP89 | |
F | GLU8 | |
F | ASP52 | |
F | ASP57 | |
F | ASP84 | |
F | ASP89 | |
G | GLU8 | |
G | ASP52 | |
G | ASP57 | |
G | ASP84 | |
A | ASP57 | |
G | ASP89 | |
E | GLU8 | |
E | ASP52 | |
E | ASP57 | |
E | ASP84 | |
E | ASP89 | |
H | GLU8 | |
H | ASP52 | |
H | ASP57 | |
H | ASP84 | |
A | ASP84 | |
H | ASP89 | |
I | GLU8 | |
I | ASP52 | |
I | ASP57 | |
I | ASP84 | |
I | ASP89 | |
J | GLU8 | |
J | ASP52 | |
J | ASP57 | |
J | ASP84 | |
A | ASP89 | |
J | ASP89 | |
K | GLU8 | |
K | ASP52 | |
K | ASP57 | |
K | ASP84 | |
K | ASP89 | |
L | GLU8 | |
L | ASP52 | |
L | ASP57 | |
L | ASP84 | |
B | GLU8 | |
L | ASP89 | |
B | ASP52 | |
B | ASP57 | |
B | ASP84 |
site_id | SWS_FT_FI3 |
Number of Residues | 48 |
Details | BINDING: BINDING => ECO:0000269|PubMed:26296329 |
Chain | Residue | Details |
A | LYS16 | |
C | ARG30 | |
C | TYR42 | |
C | TYR126 | |
D | LYS16 | |
D | ARG30 | |
D | TYR42 | |
D | TYR126 | |
F | LYS16 | |
F | ARG30 | |
F | TYR42 | |
A | ARG30 | |
F | TYR126 | |
G | LYS16 | |
G | ARG30 | |
G | TYR42 | |
G | TYR126 | |
E | LYS16 | |
E | ARG30 | |
E | TYR42 | |
E | TYR126 | |
H | LYS16 | |
A | TYR42 | |
H | ARG30 | |
H | TYR42 | |
H | TYR126 | |
I | LYS16 | |
I | ARG30 | |
I | TYR42 | |
I | TYR126 | |
J | LYS16 | |
J | ARG30 | |
J | TYR42 | |
A | TYR126 | |
J | TYR126 | |
K | LYS16 | |
K | ARG30 | |
K | TYR42 | |
K | TYR126 | |
L | LYS16 | |
L | ARG30 | |
L | TYR42 | |
L | TYR126 | |
B | LYS16 | |
B | ARG30 | |
B | TYR42 | |
B | TYR126 | |
C | LYS16 |