4TN4
Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 33G: (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004372 | molecular_function | glycine hydroxymethyltransferase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0006565 | biological_process | L-serine catabolic process |
| A | 0006730 | biological_process | one-carbon metabolic process |
| A | 0008270 | molecular_function | zinc ion binding |
| 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 |
| A | 0046653 | biological_process | tetrahydrofolate metabolic process |
| A | 0046655 | biological_process | folic acid metabolic process |
| A | 0050897 | molecular_function | cobalt ion binding |
| A | 0070905 | molecular_function | serine binding |
| B | 0004372 | molecular_function | glycine hydroxymethyltransferase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0006565 | biological_process | L-serine catabolic process |
| B | 0006730 | biological_process | one-carbon metabolic process |
| B | 0008270 | molecular_function | zinc ion binding |
| 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 |
| B | 0046653 | biological_process | tetrahydrofolate metabolic process |
| B | 0046655 | biological_process | folic acid metabolic process |
| B | 0050897 | molecular_function | cobalt ion binding |
| B | 0070905 | molecular_function | serine binding |
| C | 0004372 | molecular_function | glycine hydroxymethyltransferase activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0006565 | biological_process | L-serine catabolic process |
| C | 0006730 | biological_process | one-carbon metabolic process |
| C | 0008270 | molecular_function | zinc ion binding |
| 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 |
| C | 0046653 | biological_process | tetrahydrofolate metabolic process |
| C | 0046655 | biological_process | folic acid metabolic process |
| C | 0050897 | molecular_function | cobalt ion binding |
| C | 0070905 | molecular_function | serine binding |
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 | HOH643 |
| A | HOH660 |
| B | TYR54 |
| B | TYR64 |
| B | GLY271 |
| B | GLY272 |
| A | SER100 |
| A | GLY101 |
| A | SER102 |
| A | HIS129 |
| A | THR183 |
| A | ASP208 |
| A | SER210 |
| A | HIS211 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | binding site for residue BME A 502 |
| Chain | Residue |
| A | ALA84 |
| A | ASN86 |
| A | ALA217 |
| A | CYS218 |
| A | VAL288 |
| A | HIS289 |
| A | LYS294 |
| A | HOH680 |
| site_id | AC3 |
| Number of Residues | 11 |
| Details | binding site for residue 33G A 503 |
| Chain | Residue |
| A | LEU124 |
| A | GLY127 |
| A | GLY128 |
| A | HIS129 |
| A | THR183 |
| A | ASN354 |
| A | LYS355 |
| A | ASN356 |
| B | GLU56 |
| B | TYR63 |
| B | TYR64 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 504 |
| Chain | Residue |
| A | ASN276 |
| A | LYS277 |
| B | ASN276 |
| B | LYS277 |
| site_id | AC5 |
| Number of Residues | 19 |
| Details | binding site for residue PLG B 501 |
| Chain | Residue |
| A | TYR54 |
| A | TYR64 |
| A | GLY272 |
| B | SER34 |
| B | SER100 |
| B | GLY101 |
| B | SER102 |
| B | HIS129 |
| B | TYR182 |
| B | THR183 |
| B | ASP208 |
| B | SER210 |
| B | HIS211 |
| B | THR234 |
| B | HIS236 |
| B | LYS237 |
| B | ARG371 |
| B | HOH640 |
| B | HOH647 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | binding site for residue BME B 502 |
| Chain | Residue |
| B | ALA84 |
| B | ASN86 |
| B | ALA217 |
| B | CYS218 |
| B | VAL288 |
| B | HIS289 |
| B | LYS294 |
| site_id | AC7 |
| Number of Residues | 10 |
| Details | binding site for residue 33G B 503 |
| Chain | Residue |
| A | GLU56 |
| A | TYR63 |
| A | TYR64 |
| B | LEU124 |
| B | GLY128 |
| B | HIS129 |
| B | THR183 |
| B | ASN354 |
| B | LYS355 |
| B | ASN356 |
| site_id | AC8 |
| Number of Residues | 20 |
| Details | binding site for residue PLG C 501 |
| Chain | Residue |
| C | SER34 |
| C | TYR54 |
| C | TYR64 |
| C | SER100 |
| C | GLY101 |
| C | SER102 |
| C | HIS129 |
| C | TYR182 |
| C | THR183 |
| C | ASP208 |
| C | SER210 |
| C | HIS211 |
| C | THR234 |
| C | HIS236 |
| C | LYS237 |
| C | GLY271 |
| C | GLY272 |
| C | ARG371 |
| C | HOH632 |
| C | HOH654 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | binding site for residue BME C 502 |
| Chain | Residue |
| C | ALA217 |
| C | CYS218 |
| C | VAL288 |
| C | HIS289 |
| C | LYS294 |
| C | ALA84 |
| C | ASN86 |
| site_id | AD1 |
| Number of Residues | 13 |
| Details | binding site for residue 33G C 503 |
| Chain | Residue |
| C | GLU56 |
| C | TYR63 |
| C | TYR64 |
| C | LEU124 |
| C | GLY127 |
| C | GLY128 |
| C | HIS129 |
| C | THR183 |
| C | ASN354 |
| C | LYS355 |
| C | ASN356 |
| C | PRO367 |
| C | HOH601 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue CL C 504 |
| Chain | Residue |
| C | ASN276 |
| C | ASN276 |
| C | LYS277 |
| C | LYS277 |
