4Z73
Crystal structure of inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with a phosphate ion and an 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 | 4 |
| Details | binding site for residue MN A 201 |
| Chain | Residue |
| A | LYS127 |
| A | ASP128 |
| A | GLU130 |
| A | LYS133 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue PO4 A 202 |
| Chain | Residue |
| A | LYS16 |
| A | ARG30 |
| A | TYR126 |
| A | LYS127 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue MN A 203 |
| Chain | Residue |
| A | ASP57 |
| A | ASP89 |
| A | ASP52 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue MN A 204 |
| Chain | Residue |
| A | TYR42 |
| A | ASP57 |
| site_id | AC5 |
| Number of Residues | 9 |
| 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 | HOH301 |
| B | HOH302 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue MN B 202 |
| Chain | Residue |
| B | LYS127 |
| B | ASP128 |
| B | GLU130 |
| B | LYS133 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue MN B 203 |
| Chain | Residue |
| B | GLU8 |
| B | TYR42 |
| B | GLY43 |
| B | ASP57 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue MN B 204 |
| Chain | Residue |
| B | ASP52 |
| B | ASP57 |
| B | ASP89 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 C 201 |
| Chain | Residue |
| C | LYS16 |
| C | ARG30 |
| C | TYR126 |
| C | LYS127 |
| C | MN204 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue MN C 202 |
| Chain | Residue |
| C | LYS127 |
| C | ASP128 |
| C | GLU130 |
| C | LYS133 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue MN C 203 |
| Chain | Residue |
| C | ASP52 |
| C | ASP57 |
| C | ASP89 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue MN C 204 |
| Chain | Residue |
| C | TYR42 |
| C | ASP57 |
| C | PO4201 |
| C | HOH307 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue MN D 201 |
| Chain | Residue |
| D | LYS127 |
| D | ASP128 |
| D | GLU130 |
| D | LYS133 |
| site_id | AD5 |
| Number of Residues | 2 |
| Details | binding site for residue MN D 202 |
| Chain | Residue |
| D | ASP52 |
| D | ASP57 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 D 203 |
| Chain | Residue |
| D | LYS16 |
| D | ARG30 |
| D | TYR126 |
| D | LYS127 |
| D | HOH305 |
| site_id | AD7 |
| Number of Residues | 4 |
| Details | binding site for residue PO4 F 201 |
| Chain | Residue |
| F | LYS16 |
| F | ARG30 |
| F | GLU85 |
| F | TYR126 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue MN F 202 |
| Chain | Residue |
| F | ASP52 |
| F | PRO55 |
| F | ASP57 |
| F | ASP89 |
| site_id | AD9 |
| Number of Residues | 5 |
| Details | binding site for residue MN G 201 |
| Chain | Residue |
| F | GLU155 |
| G | LYS127 |
| G | ASP128 |
| G | GLU130 |
| G | LYS133 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue MN G 202 |
| Chain | Residue |
| G | ASP52 |
| G | PRO55 |
| G | ASP57 |
| G | ASP89 |
| site_id | AE2 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 G 203 |
| Chain | Residue |
| G | LYS16 |
| G | ARG30 |
| G | TYR126 |
| G | LYS127 |
| G | HOH301 |
| site_id | AE3 |
| Number of Residues | 3 |
| Details | binding site for residue MN G 204 |
| Chain | Residue |
| G | TYR42 |
| G | ASP57 |
| G | ASP89 |
| site_id | AE4 |
| Number of Residues | 4 |
| Details | binding site for residue PO4 E 201 |
| Chain | Residue |
| E | LYS16 |
| E | ARG30 |
| E | TYR126 |
| E | LYS127 |
| site_id | AE5 |
| Number of Residues | 4 |
| Details | binding site for residue MN E 202 |
| Chain | Residue |
| E | GLU8 |
| E | TYR42 |
| E | GLY43 |
| E | ASP57 |
| site_id | AE6 |
| Number of Residues | 3 |
| Details | binding site for residue MN H 201 |
| Chain | Residue |
| H | ASP52 |
| H | ASP57 |
| H | ASP89 |
| site_id | AE7 |
| Number of Residues | 5 |
| Details | binding site for residue MN H 202 |
| Chain | Residue |
| H | GLU130 |
| H | LYS133 |
| E | GLU155 |
| H | LYS127 |
| H | ASP128 |
| site_id | AE8 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 H 203 |
| Chain | Residue |
| H | LYS16 |
| H | ARG30 |
| H | TYR126 |
| H | LYS127 |
| H | HOH301 |
| site_id | AE9 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 I 201 |
| Chain | Residue |
| I | LYS16 |
| I | ARG30 |
| I | TYR126 |
| I | LYS127 |
| I | MN204 |
| site_id | AF1 |
| Number of Residues | 3 |
| Details | binding site for residue MN I 202 |
| Chain | Residue |
| I | ASP52 |
| I | PRO55 |
| I | ASP57 |
| site_id | AF2 |
| Number of Residues | 4 |
| Details | binding site for residue MN I 203 |
| Chain | Residue |
| I | LYS127 |
| I | ASP128 |
| I | GLU130 |
| I | LYS133 |
| site_id | AF3 |
| Number of Residues | 3 |
| Details | binding site for residue MN I 204 |
| Chain | Residue |
| I | TYR42 |
| I | PO4201 |
| I | HOH308 |
| site_id | AF4 |
| Number of Residues | 3 |
| Details | binding site for residue PO4 J 201 |
| Chain | Residue |
| J | LYS16 |
| J | ARG30 |
| J | TYR126 |
| site_id | AF5 |
| Number of Residues | 4 |
| Details | binding site for residue MN J 202 |
| Chain | Residue |
| J | LYS127 |
| J | ASP128 |
| J | GLU130 |
| J | LYS133 |
| site_id | AF6 |
| Number of Residues | 5 |
| Details | binding site for residue POP K 201 |
| Chain | Residue |
| K | LYS16 |
| K | ARG30 |
| K | TYR42 |
| K | LYS91 |
| K | TYR126 |
| site_id | AF7 |
| Number of Residues | 3 |
| Details | binding site for residue MN K 202 |
| Chain | Residue |
| K | GLU8 |
| K | TYR42 |
| K | ASP57 |
| site_id | AF8 |
| Number of Residues | 2 |
| Details | binding site for residue MN K 203 |
| Chain | Residue |
| K | ASP52 |
| K | ASP57 |
| site_id | AF9 |
| Number of Residues | 9 |
| Details | binding site for residue POP L 201 |
| Chain | Residue |
| L | LYS16 |
| L | ARG30 |
| L | TYR42 |
| L | ASP89 |
| L | TYR126 |
| L | LYS127 |
| L | MN203 |
| L | MN204 |
| L | HOH303 |
| site_id | AG1 |
| Number of Residues | 4 |
| Details | binding site for residue MN L 202 |
| Chain | Residue |
| L | LYS127 |
| L | ASP128 |
| L | GLU130 |
| L | LYS133 |
| site_id | AG2 |
| Number of Residues | 3 |
| Details | binding site for residue MN L 203 |
| Chain | Residue |
| L | TYR42 |
| L | ASP57 |
| L | POP201 |
| site_id | AG3 |
| Number of Residues | 4 |
| Details | binding site for residue MN L 204 |
| Chain | Residue |
| L | ASP57 |
| L | ASP89 |
| L | POP201 |
| L | HOH301 |
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 | |
| B | ASP89 | |
| C | ASP89 | |
| D | ASP89 | |
| F | ASP89 | |
| G | ASP89 | |
| E | ASP89 | |
| H | ASP89 | |
| I | ASP89 | |
| J | ASP89 | |
| K | ASP89 | |
| L | ASP89 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 60 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:26296329 |
| Chain | Residue | Details |
| F | ASP89 | |
| G | GLU8 | |
| G | ASP52 | |
| G | ASP57 | |
| G | ASP84 | |
| G | ASP89 | |
| E | GLU8 | |
| E | ASP52 | |
| E | ASP57 | |
| E | ASP84 | |
| E | ASP89 | |
| H | GLU8 | |
| H | ASP52 | |
| H | ASP57 | |
| H | ASP84 | |
| H | ASP89 | |
| I | GLU8 | |
| I | ASP52 | |
| I | ASP57 | |
| I | ASP84 | |
| I | ASP89 | |
| J | GLU8 | |
| J | ASP52 | |
| J | ASP57 | |
| J | ASP84 | |
| J | ASP89 | |
| K | GLU8 | |
| K | ASP52 | |
| K | ASP57 | |
| K | ASP84 | |
| K | ASP89 | |
| L | GLU8 | |
| L | ASP52 | |
| L | ASP57 | |
| L | ASP84 | |
| L | ASP89 | |
| A | ASP52 | |
| A | ASP57 | |
| A | ASP84 | |
| A | ASP89 | |
| B | GLU8 | |
| B | ASP52 | |
| B | ASP57 | |
| B | ASP84 | |
| B | ASP89 | |
| C | GLU8 | |
| C | ASP52 | |
| C | ASP57 | |
| C | ASP84 | |
| C | ASP89 | |
| D | GLU8 | |
| D | ASP52 | |
| D | ASP57 | |
| D | ASP84 | |
| D | ASP89 | |
| F | ASP52 | |
| F | ASP57 | |
| F | ASP84 | |
| A | GLU8 | |
| F | GLU8 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 48 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:26296329 |
| Chain | Residue | Details |
| D | LYS16 | |
| D | ARG30 | |
| D | TYR42 | |
| D | TYR126 | |
| F | LYS16 | |
| F | ARG30 | |
| F | TYR42 | |
| F | TYR126 | |
| G | LYS16 | |
| G | ARG30 | |
| G | TYR42 | |
| G | TYR126 | |
| E | LYS16 | |
| E | ARG30 | |
| E | TYR42 | |
| E | TYR126 | |
| H | LYS16 | |
| H | ARG30 | |
| H | TYR42 | |
| H | TYR126 | |
| I | LYS16 | |
| I | ARG30 | |
| I | TYR42 | |
| I | TYR126 | |
| J | LYS16 | |
| J | ARG30 | |
| J | TYR42 | |
| J | TYR126 | |
| K | LYS16 | |
| K | ARG30 | |
| K | TYR42 | |
| K | TYR126 | |
| L | LYS16 | |
| L | ARG30 | |
| L | TYR42 | |
| L | TYR126 | |
| A | LYS16 | |
| A | ARG30 | |
| A | TYR42 | |
| A | TYR126 | |
| B | LYS16 | |
| B | ARG30 | |
| B | TYR42 | |
| B | TYR126 | |
| C | TYR42 | |
| C | TYR126 | |
| C | LYS16 | |
| C | ARG30 |
