1ML3
Evidences for a flip-flop catalytic mechanism of Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, from its crystal structure in complex with reacted irreversible inhibitor 2-(2-phosphono-ethyl)-acrylic acid 4-nitro-phenyl ester
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004365 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (phosphorylating) activity |
| A | 0005829 | cellular_component | cytosol |
| A | 0006006 | biological_process | glucose metabolic process |
| A | 0006096 | biological_process | glycolytic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| A | 0020015 | cellular_component | glycosome |
| A | 0050661 | molecular_function | NADP binding |
| A | 0051287 | molecular_function | NAD binding |
| B | 0004365 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (phosphorylating) activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0006006 | biological_process | glucose metabolic process |
| B | 0006096 | biological_process | glycolytic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| B | 0020015 | cellular_component | glycosome |
| B | 0050661 | molecular_function | NADP binding |
| B | 0051287 | molecular_function | NAD binding |
| C | 0004365 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (phosphorylating) activity |
| C | 0005829 | cellular_component | cytosol |
| C | 0006006 | biological_process | glucose metabolic process |
| C | 0006096 | biological_process | glycolytic process |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| C | 0020015 | cellular_component | glycosome |
| C | 0050661 | molecular_function | NADP binding |
| C | 0051287 | molecular_function | NAD binding |
| D | 0004365 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (phosphorylating) activity |
| D | 0005829 | cellular_component | cytosol |
| D | 0006006 | biological_process | glucose metabolic process |
| D | 0006096 | biological_process | glycolytic process |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| D | 0020015 | cellular_component | glycosome |
| D | 0050661 | molecular_function | NADP binding |
| D | 0051287 | molecular_function | NAD binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE NAD C 1360 |
| Chain | Residue |
| B | VAL206 |
| C | SER110 |
| C | THR111 |
| C | GLY112 |
| C | SER134 |
| C | ALA135 |
| C | CYS166 |
| C | ALA198 |
| C | ASN335 |
| C | TYR339 |
| C | CYX2166 |
| C | GLY9 |
| C | HOH2211 |
| C | HOH2222 |
| C | HOH2230 |
| C | HOH2274 |
| C | GLY11 |
| C | ARG12 |
| C | ILE13 |
| C | ASP38 |
| C | MET39 |
| C | ALA90 |
| C | GLN91 |
| site_id | AC2 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE NAD D 1361 |
| Chain | Residue |
| D | ASN8 |
| D | GLY9 |
| D | GLY11 |
| D | ARG12 |
| D | ILE13 |
| D | VAL37 |
| D | ASP38 |
| D | MET39 |
| D | ALA90 |
| D | GLN91 |
| D | SER110 |
| D | THR111 |
| D | GLY112 |
| D | LEU113 |
| D | SER134 |
| D | ALA135 |
| D | ALA198 |
| D | ASN335 |
| D | TYR339 |
| D | CYX3166 |
| D | HOH3168 |
| D | HOH3174 |
| D | HOH3191 |
| D | HOH3192 |
| D | HOH3216 |
| D | HOH3301 |
| site_id | AC3 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE NAD B 1362 |
| Chain | Residue |
| B | GLY9 |
| B | GLY11 |
| B | ARG12 |
| B | ILE13 |
| B | ASP38 |
| B | MET39 |
| B | ALA90 |
| B | ARG92 |
| B | LEU113 |
| B | ALA135 |
| B | CYS166 |
| B | ALA198 |
| B | ASN335 |
| B | TYR339 |
| B | CYX1166 |
| B | HOH1450 |
| B | HOH1465 |
| B | HOH1516 |
| C | VAL206 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE CYX B 1166 |
| Chain | Residue |
| B | CYS166 |
| B | THR167 |
| B | HIS194 |
| B | THR197 |
| B | THR226 |
| B | SER247 |
| B | ARG249 |
| B | NAD1362 |
| site_id | AC5 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE CYX C 2166 |
| Chain | Residue |
| C | SER165 |
| C | CYS166 |
| C | THR167 |
| C | HIS194 |
| C | THR197 |
| C | THR199 |
| C | THR225 |
| C | THR226 |
| C | SER247 |
| C | ARG249 |
| C | ASN335 |
| C | NAD1360 |
| C | HOH2274 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CYX D 3166 |
| Chain | Residue |
| D | CYS166 |
| D | HIS194 |
| D | THR197 |
| D | THR199 |
| D | ARG249 |
| D | ASN335 |
| D | NAD1361 |
Functional Information from PROSITE/UniProt
| site_id | PS00071 |
| Number of Residues | 8 |
| Details | GAPDH Glyceraldehyde 3-phosphate dehydrogenase active site. ASCTTNcL |
| Chain | Residue | Details |
| A | ALA164-LEU171 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Nucleophile |
| Chain | Residue | Details |
| A | CYS166 | |
| B | CYS166 | |
| C | CYS166 | |
| D | CYS166 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 20 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:12795610, ECO:0000269|PubMed:14622286 |
| Chain | Residue | Details |
| A | ARG12 | |
| B | ASN335 | |
| C | ARG12 | |
| C | ASP38 | |
| C | GLN91 | |
| C | SER134 | |
| C | ASN335 | |
| D | ARG12 | |
| D | ASP38 | |
| D | GLN91 | |
| D | SER134 | |
| A | ASP38 | |
| D | ASN335 | |
| A | GLN91 | |
| A | SER134 | |
| A | ASN335 | |
| B | ARG12 | |
| B | ASP38 | |
| B | GLN91 | |
| B | SER134 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 16 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | SER165 | |
| C | THR197 | |
| C | THR226 | |
| C | ARG249 | |
| D | SER165 | |
| D | THR197 | |
| D | THR226 | |
| D | ARG249 | |
| A | THR197 | |
| A | THR226 | |
| A | ARG249 | |
| B | SER165 | |
| B | THR197 | |
| B | THR226 | |
| B | ARG249 | |
| C | SER165 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | SITE: Activates thiol group during catalysis |
| Chain | Residue | Details |
| A | HIS194 | |
| B | HIS194 | |
| C | HIS194 | |
| D | HIS194 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1szj |
| Chain | Residue | Details |
| A | CYS166 | |
| A | HIS194 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1szj |
| Chain | Residue | Details |
| B | CYS166 | |
| B | HIS194 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1szj |
| Chain | Residue | Details |
| C | CYS166 | |
| C | HIS194 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1szj |
| Chain | Residue | Details |
| D | CYS166 | |
| D | HIS194 |
