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 |