6S4A
Structure of human MTHFD2 in complex with TH9028
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004477 | molecular_function | methenyltetrahydrofolate cyclohydrolase activity |
| A | 0004487 | molecular_function | methylenetetrahydrofolate dehydrogenase (NAD+) activity |
| A | 0004488 | molecular_function | methylenetetrahydrofolate dehydrogenase (NADP+) activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005615 | cellular_component | extracellular space |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005759 | cellular_component | mitochondrial matrix |
| A | 0006730 | biological_process | one-carbon metabolic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0035999 | biological_process | tetrahydrofolate interconversion |
| A | 0042301 | molecular_function | phosphate ion binding |
| A | 0046653 | biological_process | tetrahydrofolate metabolic process |
| A | 0046655 | biological_process | folic acid metabolic process |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004477 | molecular_function | methenyltetrahydrofolate cyclohydrolase activity |
| B | 0004487 | molecular_function | methylenetetrahydrofolate dehydrogenase (NAD+) activity |
| B | 0004488 | molecular_function | methylenetetrahydrofolate dehydrogenase (NADP+) activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005615 | cellular_component | extracellular space |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005759 | cellular_component | mitochondrial matrix |
| B | 0006730 | biological_process | one-carbon metabolic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0035999 | biological_process | tetrahydrofolate interconversion |
| B | 0042301 | molecular_function | phosphate ion binding |
| B | 0046653 | biological_process | tetrahydrofolate metabolic process |
| B | 0046655 | biological_process | folic acid metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 22 |
| Details | binding site for residue KUK A 401 |
| Chain | Residue |
| A | TYR84 |
| A | ARG278 |
| A | LEU289 |
| A | PRO309 |
| A | GLY310 |
| A | GLY313 |
| A | PRO314 |
| A | NAD405 |
| A | HOH510 |
| A | HOH537 |
| A | HOH550 |
| A | ASN87 |
| A | HOH556 |
| A | HOH574 |
| A | HOH595 |
| A | LYS88 |
| A | VAL131 |
| A | GLN132 |
| A | LEU133 |
| A | ASP155 |
| A | PHE157 |
| A | ILE276 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | binding site for residue PO4 A 402 |
| Chain | Residue |
| A | ARG201 |
| A | ARG233 |
| A | NAD405 |
| A | HOH515 |
| A | HOH573 |
| B | ASP216 |
| B | HIS219 |
| B | HOH552 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue PO4 A 403 |
| Chain | Residue |
| A | GLU77 |
| A | PRO79 |
| A | MPD408 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue PO4 A 404 |
| Chain | Residue |
| A | VAL38 |
| A | VAL39 |
| A | HOH517 |
| site_id | AC5 |
| Number of Residues | 22 |
| Details | binding site for residue NAD A 405 |
| Chain | Residue |
| A | GLY200 |
| A | ARG201 |
| A | SER202 |
| A | VAL205 |
| A | HIS232 |
| A | ARG233 |
| A | ALA253 |
| A | ALA254 |
| A | GLY255 |
| A | ILE256 |
| A | VAL274 |
| A | ILE276 |
| A | VAL312 |
| A | GLY313 |
| A | THR316 |
| A | KUK401 |
| A | PO4402 |
| A | HOH515 |
| A | HOH537 |
| A | HOH563 |
| A | HOH580 |
| A | HOH595 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue MPD A 406 |
| Chain | Residue |
| A | LEU167 |
| A | HIS219 |
| A | GLU220 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue MPD A 407 |
| Chain | Residue |
| A | TRP181 |
| A | ARG221 |
| A | PRO222 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue MPD A 408 |
| Chain | Residue |
| A | HIS82 |
| A | MET103 |
| A | PO4403 |
| A | HOH501 |
| B | HIS82 |
| B | PO4403 |
| site_id | AC9 |
| Number of Residues | 20 |
| Details | binding site for residue KUK B 401 |
| Chain | Residue |
| B | TYR84 |
| B | ASN87 |
| B | LYS88 |
| B | VAL131 |
| B | GLN132 |
| B | LEU133 |
| B | ASP155 |
| B | PHE157 |
| B | ILE276 |
| B | LEU289 |
| B | PRO309 |
| B | GLY310 |
| B | GLY313 |
| B | PRO314 |
| B | NAD405 |
| B | HOH526 |
| B | HOH533 |
| B | HOH544 |
| B | HOH558 |
| B | HOH560 |
| site_id | AD1 |
| Number of Residues | 8 |
| Details | binding site for residue PO4 B 402 |
| Chain | Residue |
| A | ASP216 |
| A | HIS219 |
| B | ARG201 |
| B | ARG233 |
| B | NAD405 |
| B | HOH527 |
| B | HOH545 |
| B | HOH567 |
| site_id | AD2 |
| Number of Residues | 2 |
| Details | binding site for residue PO4 B 403 |
| Chain | Residue |
| B | HIS82 |
| A | MPD408 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue PO4 B 404 |
| Chain | Residue |
| A | HOH583 |
| B | HIS158 |
| B | VAL159 |
| B | HOH559 |
| site_id | AD4 |
| Number of Residues | 20 |
| Details | binding site for residue NAD B 405 |
| Chain | Residue |
| B | THR176 |
| B | ARG201 |
| B | SER202 |
| B | VAL205 |
| B | HIS232 |
| B | ARG233 |
| B | ALA253 |
| B | ALA254 |
| B | ILE256 |
| B | VAL274 |
| B | ILE276 |
| B | GLY313 |
| B | THR316 |
| B | KUK401 |
| B | PO4402 |
| B | HOH513 |
| B | HOH527 |
| B | HOH542 |
| B | HOH549 |
| B | HOH571 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue MPD B 406 |
| Chain | Residue |
| B | SER171 |
| B | LEU173 |
| B | TRP178 |
| B | ASN323 |
| B | ILE326 |
| B | MPD409 |
| site_id | AD6 |
| Number of Residues | 8 |
| Details | binding site for residue MPD B 407 |
| Chain | Residue |
| A | GLU100 |
| A | ILE102 |
| A | LEU116 |
| A | LYS119 |
| A | HOH584 |
| B | GLU100 |
| B | LYS119 |
| B | LEU120 |
| site_id | AD7 |
| Number of Residues | 2 |
| Details | binding site for residue MPD B 408 |
| Chain | Residue |
| B | ARG54 |
| B | ALA93 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue MPD B 409 |
| Chain | Residue |
| B | TRP181 |
| B | ARG221 |
| B | PRO222 |
| B | MPD406 |
Functional Information from PROSITE/UniProt
| site_id | PS00766 |
| Number of Residues | 26 |
| Details | THF_DHG_CYH_1 Tetrahydrofolate dehydrogenase/cyclohydrolase signature 1. EeELLnlInkLNnDdnvdgLLVQLPL |
| Chain | Residue | Details |
| A | GLU110-LEU135 |
| site_id | PS00767 |
| Number of Residues | 9 |
| Details | THF_DHG_CYH_2 Tetrahydrofolate dehydrogenase/cyclohydrolase signature 2. PGGVGPMTV |
| Chain | Residue | Details |
| A | PRO309-VAL317 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:27899380 |
| Chain | Residue | Details |
| A | TYR84 | |
| A | VAL131 | |
| A | PRO309 | |
| B | TYR84 | |
| B | VAL131 | |
| B | PRO309 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:16100107, ECO:0000269|PubMed:27899380 |
| Chain | Residue | Details |
| A | GLY200 | |
| A | ARG233 | |
| B | GLY200 | |
| B | ARG233 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-acetyllysine; alternate => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| A | LYS50 | |
| B | LYS50 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:28112733 |
| Chain | Residue | Details |
| A | LYS50 | |
| B | LYS50 |
