6OOI
Crystal structure of triosephosphate isomerase from Schistosoma mansoni in complex with 2PG
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004807 | molecular_function | triose-phosphate isomerase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006094 | biological_process | gluconeogenesis |
| A | 0006096 | biological_process | glycolytic process |
| A | 0016853 | molecular_function | isomerase activity |
| A | 0019563 | biological_process | glycerol catabolic process |
| A | 0046166 | biological_process | glyceraldehyde-3-phosphate biosynthetic process |
| B | 0004807 | molecular_function | triose-phosphate isomerase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006094 | biological_process | gluconeogenesis |
| B | 0006096 | biological_process | glycolytic process |
| B | 0016853 | molecular_function | isomerase activity |
| B | 0019563 | biological_process | glycerol catabolic process |
| B | 0046166 | biological_process | glyceraldehyde-3-phosphate biosynthetic process |
| C | 0004807 | molecular_function | triose-phosphate isomerase activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0006094 | biological_process | gluconeogenesis |
| C | 0006096 | biological_process | glycolytic process |
| C | 0016853 | molecular_function | isomerase activity |
| C | 0019563 | biological_process | glycerol catabolic process |
| C | 0046166 | biological_process | glyceraldehyde-3-phosphate biosynthetic process |
| D | 0004807 | molecular_function | triose-phosphate isomerase activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0006094 | biological_process | gluconeogenesis |
| D | 0006096 | biological_process | glycolytic process |
| D | 0016853 | molecular_function | isomerase activity |
| D | 0019563 | biological_process | glycerol catabolic process |
| D | 0046166 | biological_process | glyceraldehyde-3-phosphate biosynthetic process |
| E | 0004807 | molecular_function | triose-phosphate isomerase activity |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0005829 | cellular_component | cytosol |
| E | 0006094 | biological_process | gluconeogenesis |
| E | 0006096 | biological_process | glycolytic process |
| E | 0016853 | molecular_function | isomerase activity |
| E | 0019563 | biological_process | glycerol catabolic process |
| E | 0046166 | biological_process | glyceraldehyde-3-phosphate biosynthetic process |
| F | 0004807 | molecular_function | triose-phosphate isomerase activity |
| F | 0005737 | cellular_component | cytoplasm |
| F | 0005829 | cellular_component | cytosol |
| F | 0006094 | biological_process | gluconeogenesis |
| F | 0006096 | biological_process | glycolytic process |
| F | 0016853 | molecular_function | isomerase activity |
| F | 0019563 | biological_process | glycerol catabolic process |
| F | 0046166 | biological_process | glyceraldehyde-3-phosphate biosynthetic process |
| G | 0004807 | molecular_function | triose-phosphate isomerase activity |
| G | 0005737 | cellular_component | cytoplasm |
| G | 0005829 | cellular_component | cytosol |
| G | 0006094 | biological_process | gluconeogenesis |
| G | 0006096 | biological_process | glycolytic process |
| G | 0016853 | molecular_function | isomerase activity |
| G | 0019563 | biological_process | glycerol catabolic process |
| G | 0046166 | biological_process | glyceraldehyde-3-phosphate biosynthetic process |
| H | 0004807 | molecular_function | triose-phosphate isomerase activity |
| H | 0005737 | cellular_component | cytoplasm |
| H | 0005829 | cellular_component | cytosol |
| H | 0006094 | biological_process | gluconeogenesis |
| H | 0006096 | biological_process | glycolytic process |
| H | 0016853 | molecular_function | isomerase activity |
| H | 0019563 | biological_process | glycerol catabolic process |
| H | 0046166 | biological_process | glyceraldehyde-3-phosphate biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 15 |
| Details | binding site for residue PGA A 301 |
| Chain | Residue |
| A | LYS14 |
| A | GLY236 |
| A | GLY237 |
| A | HOH434 |
| A | HOH444 |
| A | HOH448 |
| A | HOH464 |
| A | HIS96 |
| A | GLU169 |
| A | ALA173 |
| A | ILE174 |
| A | GLY175 |
| A | GLY214 |
| A | SER215 |
| A | LEU234 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 302 |
| Chain | Residue |
| A | ARG53 |
| A | VAL62 |
| A | ASP90 |
| A | HOH450 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue NA A 303 |
| Chain | Residue |
| A | LYS197 |
| A | ALA200 |
| A | ASN202 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue NA A 304 |
| Chain | Residue |
| A | ARG53 |
| A | LYS54 |
| A | LEU56 |
| site_id | AC5 |
| Number of Residues | 16 |
| Details | binding site for residue PGA B 301 |
| Chain | Residue |
| B | ASN12 |
| B | LYS14 |
| B | HIS96 |
| B | GLU169 |
| B | ALA173 |
| B | ILE174 |
| B | GLY175 |
| B | GLY214 |
| B | SER215 |
| B | LEU234 |
| B | GLY236 |
| B | GLY237 |
| B | HOH420 |
| B | HOH432 |
| B | HOH457 |
| B | HOH465 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 302 |
| Chain | Residue |
| B | ARG53 |
| B | VAL62 |
| B | ASP90 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue NA B 303 |
| Chain | Residue |
| B | LYS197 |
| B | ALA200 |
| B | ASN202 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue GOL C 301 |
| Chain | Residue |
| C | PHE103 |
| C | HOH418 |
| C | HOH512 |
| D | PHE103 |
| D | HOH454 |
| site_id | AC9 |
| Number of Residues | 16 |
| Details | binding site for residue PGA C 302 |
| Chain | Residue |
| C | ASN12 |
| C | LYS14 |
| C | HIS96 |
| C | GLU169 |
| C | ALA173 |
| C | ILE174 |
| C | GLY175 |
| C | GLY214 |
| C | SER215 |
| C | LEU234 |
| C | GLY236 |
| C | GLY237 |
| C | HOH407 |
| C | HOH424 |
| C | HOH445 |
| C | HOH486 |
| site_id | AD1 |
| Number of Residues | 3 |
| Details | binding site for residue CL C 303 |
| Chain | Residue |
| C | ARG53 |
| C | VAL62 |
| C | ASP90 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue NA C 304 |
| Chain | Residue |
| C | ARG53 |
| C | LYS54 |
| C | LEU56 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue NA C 305 |
| Chain | Residue |
| C | ALA225 |
| C | GLN227 |
| C | HIS228 |
| C | VAL230 |
| C | ARG251 |
| site_id | AD4 |
| Number of Residues | 15 |
| Details | binding site for residue PGA D 301 |
| Chain | Residue |
| D | LYS14 |
| D | HIS96 |
| D | GLU169 |
| D | ALA173 |
| D | ILE174 |
| D | GLY175 |
| D | GLY214 |
| D | SER215 |
| D | LEU234 |
| D | GLY236 |
| D | GLY237 |
| D | HOH406 |
| D | HOH419 |
| D | HOH435 |
| D | HOH440 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue CL D 302 |
| Chain | Residue |
| D | ARG53 |
| D | VAL62 |
| D | ASP90 |
| site_id | AD6 |
| Number of Residues | 12 |
| Details | binding site for residue PGA E 301 |
| Chain | Residue |
| E | HIS96 |
| E | GLU169 |
| E | ILE174 |
| E | GLY175 |
| E | SER215 |
| E | GLY236 |
| E | GLY237 |
| E | HOH406 |
| E | HOH421 |
| E | HOH457 |
| E | ASN12 |
| E | LYS14 |
| site_id | AD7 |
| Number of Residues | 4 |
| Details | binding site for residue NA E 302 |
| Chain | Residue |
| E | ALA225 |
| E | GLN227 |
| E | HIS228 |
| E | VAL230 |
| site_id | AD8 |
| Number of Residues | 3 |
| Details | binding site for residue NA E 303 |
| Chain | Residue |
| E | ARG53 |
| E | LYS54 |
| E | LEU56 |
| site_id | AD9 |
| Number of Residues | 15 |
| Details | binding site for residue PGA F 301 |
| Chain | Residue |
| F | LYS14 |
| F | HIS96 |
| F | GLU169 |
| F | ALA173 |
| F | ILE174 |
| F | GLY175 |
| F | GLY214 |
| F | SER215 |
| F | LEU234 |
| F | GLY236 |
| F | GLY237 |
| F | HOH433 |
| F | HOH445 |
| F | HOH468 |
| F | HOH490 |
| site_id | AE1 |
| Number of Residues | 3 |
| Details | binding site for residue CL F 302 |
| Chain | Residue |
| F | ARG53 |
| F | VAL62 |
| F | ASP90 |
| site_id | AE2 |
| Number of Residues | 16 |
| Details | binding site for residue PGA G 301 |
| Chain | Residue |
| G | ASN12 |
| G | LYS14 |
| G | HIS96 |
| G | GLU169 |
| G | ALA173 |
| G | ILE174 |
| G | GLY175 |
| G | GLY214 |
| G | SER215 |
| G | LEU234 |
| G | GLY236 |
| G | GLY237 |
| G | HOH410 |
| G | HOH427 |
| G | HOH438 |
| G | HOH447 |
| site_id | AE3 |
| Number of Residues | 4 |
| Details | binding site for residue CL G 302 |
| Chain | Residue |
| D | HOH421 |
| G | ARG53 |
| G | VAL62 |
| G | ASP90 |
| site_id | AE4 |
| Number of Residues | 4 |
| Details | binding site for residue GOL H 301 |
| Chain | Residue |
| G | PHE103 |
| G | HOH415 |
| H | PHE103 |
| H | GLY104 |
| site_id | AE5 |
| Number of Residues | 14 |
| Details | binding site for residue PGA H 302 |
| Chain | Residue |
| H | LYS14 |
| H | HIS96 |
| H | GLU169 |
| H | ALA173 |
| H | ILE174 |
| H | GLY175 |
| H | GLY214 |
| H | SER215 |
| H | LEU234 |
| H | GLY236 |
| H | GLY237 |
| H | HOH431 |
| H | HOH451 |
| H | HOH457 |
| site_id | AE6 |
| Number of Residues | 3 |
| Details | binding site for residue NA H 303 |
| Chain | Residue |
| H | ARG53 |
| H | LYS54 |
| H | LEU56 |
Functional Information from PROSITE/UniProt
| site_id | PS00171 |
| Number of Residues | 11 |
| Details | TIM_1 Triosephosphate isomerase active site. AYEPVWAIGTG |
| Chain | Residue | Details |
| A | ALA167-GLY177 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | ACT_SITE: Electrophile => ECO:0000250 |
| Chain | Residue | Details |
| A | HIS96 | |
| B | HIS96 | |
| C | HIS96 | |
| D | HIS96 | |
| E | HIS96 | |
| F | HIS96 | |
| G | HIS96 | |
| H | HIS96 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | ACT_SITE: Proton acceptor => ECO:0000250 |
| Chain | Residue | Details |
| A | GLU169 | |
| B | GLU169 | |
| C | GLU169 | |
| D | GLU169 | |
| E | GLU169 | |
| F | GLU169 | |
| G | GLU169 | |
| H | GLU169 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000250 |
| Chain | Residue | Details |
| D | ASN12 | |
| A | ASN12 | |
| A | LYS14 | |
| B | ASN12 | |
| B | LYS14 | |
| C | ASN12 | |
| C | LYS14 | |
| D | LYS14 | |
| E | ASN12 | |
| E | LYS14 | |
| F | ASN12 | |
| F | LYS14 | |
| G | ASN12 | |
| G | LYS14 | |
| H | ASN12 | |
| H | LYS14 |
