4TMR
Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 99S: methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate .
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004372 | molecular_function | glycine hydroxymethyltransferase activity |
| A | 0006730 | biological_process | one-carbon metabolic process |
| A | 0016740 | molecular_function | transferase activity |
| A | 0019264 | biological_process | glycine biosynthetic process from serine |
| A | 0030170 | molecular_function | pyridoxal phosphate binding |
| A | 0035999 | biological_process | tetrahydrofolate interconversion |
| B | 0004372 | molecular_function | glycine hydroxymethyltransferase activity |
| B | 0006730 | biological_process | one-carbon metabolic process |
| B | 0016740 | molecular_function | transferase activity |
| B | 0019264 | biological_process | glycine biosynthetic process from serine |
| B | 0030170 | molecular_function | pyridoxal phosphate binding |
| B | 0035999 | biological_process | tetrahydrofolate interconversion |
| C | 0004372 | molecular_function | glycine hydroxymethyltransferase activity |
| C | 0006730 | biological_process | one-carbon metabolic process |
| C | 0016740 | molecular_function | transferase activity |
| C | 0019264 | biological_process | glycine biosynthetic process from serine |
| C | 0030170 | molecular_function | pyridoxal phosphate binding |
| C | 0035999 | biological_process | tetrahydrofolate interconversion |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 18 |
| Details | binding site for residue PLG A 501 |
| Chain | Residue |
| A | SER34 |
| A | HIS236 |
| A | LYS237 |
| A | ARG371 |
| A | HOH654 |
| B | TYR54 |
| B | GLU56 |
| B | TYR64 |
| B | GLY271 |
| B | GLY272 |
| A | SER100 |
| A | GLY101 |
| A | SER102 |
| A | HIS129 |
| A | THR183 |
| A | ASP208 |
| A | HIS211 |
| A | THR234 |
| site_id | AC2 |
| Number of Residues | 17 |
| Details | binding site for residue 99S A 502 |
| Chain | Residue |
| A | LEU124 |
| A | GLY128 |
| A | HIS129 |
| A | LEU130 |
| A | VAL141 |
| A | THR183 |
| A | SER184 |
| A | ASN354 |
| A | LYS355 |
| A | ASN356 |
| A | THR357 |
| A | CYS364 |
| A | PRO367 |
| A | ARG371 |
| B | GLU56 |
| B | TYR63 |
| B | TYR64 |
| site_id | AC3 |
| Number of Residues | 19 |
| Details | binding site for residue PLG B 501 |
| Chain | Residue |
| A | TYR54 |
| A | GLU56 |
| A | TYR64 |
| A | GLY271 |
| A | GLY272 |
| A | HOH653 |
| B | SER34 |
| B | SER100 |
| B | GLY101 |
| B | SER102 |
| B | HIS129 |
| B | THR183 |
| B | ASP208 |
| B | HIS211 |
| B | THR234 |
| B | HIS236 |
| B | LYS237 |
| B | ARG371 |
| B | HOH642 |
| site_id | AC4 |
| Number of Residues | 17 |
| Details | binding site for residue 99S B 502 |
| Chain | Residue |
| A | GLU56 |
| A | TYR63 |
| A | TYR64 |
| A | PRO267 |
| B | LEU124 |
| B | GLY128 |
| B | HIS129 |
| B | LEU130 |
| B | VAL141 |
| B | THR183 |
| B | SER184 |
| B | LYS355 |
| B | ASN356 |
| B | THR357 |
| B | CYS364 |
| B | PRO367 |
| B | ARG371 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue CL B 503 |
| Chain | Residue |
| A | ASN276 |
| A | LYS277 |
| B | ASN276 |
| B | LYS277 |
| site_id | AC6 |
| Number of Residues | 19 |
| Details | binding site for residue PLG C 501 |
| Chain | Residue |
| C | SER34 |
| C | TYR54 |
| C | GLU56 |
| C | TYR64 |
| C | SER100 |
| C | GLY101 |
| C | SER102 |
| C | HIS129 |
| C | TYR182 |
| C | THR183 |
| C | ASP208 |
| C | HIS211 |
| C | THR234 |
| C | HIS236 |
| C | LYS237 |
| C | GLY271 |
| C | GLY272 |
| C | ARG371 |
| C | HOH611 |
| site_id | AC7 |
| Number of Residues | 17 |
| Details | binding site for residue 99S C 502 |
| Chain | Residue |
| C | HIS129 |
| C | LEU130 |
| C | VAL141 |
| C | THR183 |
| C | SER184 |
| C | ASN354 |
| C | LYS355 |
| C | ASN356 |
| C | THR357 |
| C | CYS364 |
| C | PRO367 |
| C | ARG371 |
| C | GLU56 |
| C | TYR63 |
| C | TYR64 |
| C | LEU124 |
| C | GLY128 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue CL C 503 |
| Chain | Residue |
| C | ASN276 |
| C | ASN276 |
| C | LYS277 |
| C | LYS277 |
