7NDW
ThyX-FADH2 soaked with 20 mM Formaldehyde
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004799 | molecular_function | thymidylate synthase activity |
A | 0006231 | biological_process | dTMP biosynthetic process |
A | 0006235 | biological_process | dTTP biosynthetic process |
A | 0008168 | molecular_function | methyltransferase activity |
A | 0009165 | biological_process | nucleotide biosynthetic process |
A | 0032259 | biological_process | methylation |
A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
A | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
A | 0070402 | molecular_function | NADPH binding |
B | 0004799 | molecular_function | thymidylate synthase activity |
B | 0006231 | biological_process | dTMP biosynthetic process |
B | 0006235 | biological_process | dTTP biosynthetic process |
B | 0008168 | molecular_function | methyltransferase activity |
B | 0009165 | biological_process | nucleotide biosynthetic process |
B | 0032259 | biological_process | methylation |
B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
B | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
B | 0070402 | molecular_function | NADPH binding |
C | 0004799 | molecular_function | thymidylate synthase activity |
C | 0006231 | biological_process | dTMP biosynthetic process |
C | 0006235 | biological_process | dTTP biosynthetic process |
C | 0008168 | molecular_function | methyltransferase activity |
C | 0009165 | biological_process | nucleotide biosynthetic process |
C | 0032259 | biological_process | methylation |
C | 0050660 | molecular_function | flavin adenine dinucleotide binding |
C | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
C | 0070402 | molecular_function | NADPH binding |
D | 0004799 | molecular_function | thymidylate synthase activity |
D | 0006231 | biological_process | dTMP biosynthetic process |
D | 0006235 | biological_process | dTTP biosynthetic process |
D | 0008168 | molecular_function | methyltransferase activity |
D | 0009165 | biological_process | nucleotide biosynthetic process |
D | 0032259 | biological_process | methylation |
D | 0050660 | molecular_function | flavin adenine dinucleotide binding |
D | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
D | 0070402 | molecular_function | NADPH binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 27 |
Details | binding site for residue HUF A 301 |
Chain | Residue |
A | ARG78 |
A | HOH418 |
A | HOH419 |
A | HOH420 |
C | SER30 |
C | THR55 |
C | GLU58 |
C | ILE81 |
C | ASN163 |
C | ARG165 |
C | FDA301 |
A | HIS79 |
C | PG4303 |
D | SER83 |
D | ASN85 |
D | GLU86 |
D | SER88 |
D | TYR91 |
D | PO4302 |
D | HOH412 |
A | ARG80 |
A | ILE81 |
A | ASN169 |
A | LEU173 |
A | ARG174 |
A | HIS178 |
A | HOH410 |
site_id | AC2 |
Number of Residues | 2 |
Details | binding site for residue PEG A 302 |
Chain | Residue |
A | LYS50 |
A | TYR208 |
site_id | AC3 |
Number of Residues | 28 |
Details | binding site for residue HUF B 301 |
Chain | Residue |
B | ARG78 |
B | HIS79 |
B | ARG80 |
B | ILE81 |
B | ASN169 |
B | LEU173 |
B | ARG174 |
B | HIS178 |
B | PEG304 |
B | HOH402 |
B | HOH413 |
B | HOH420 |
C | SER83 |
C | ASN85 |
C | GLU86 |
C | SER88 |
C | TYR91 |
C | PO4302 |
C | HOH421 |
D | SER30 |
D | THR55 |
D | GLU58 |
D | ILE81 |
D | ASN163 |
D | ARG165 |
D | FDA301 |
D | PEG303 |
D | PEG305 |
site_id | AC4 |
Number of Residues | 6 |
Details | binding site for residue PO4 B 302 |
Chain | Residue |
B | SER88 |
B | GLY89 |
B | ARG90 |
B | ARG147 |
B | HOH406 |
C | GLN75 |
site_id | AC5 |
Number of Residues | 4 |
Details | binding site for residue PEG B 303 |
Chain | Residue |
B | TYR99 |
B | SER102 |
B | GLU104 |
B | TRP181 |
site_id | AC6 |
Number of Residues | 6 |
Details | binding site for residue PEG B 304 |
Chain | Residue |
B | GLU54 |
B | ARG165 |
B | ASN169 |
B | HUF301 |
D | FDA301 |
D | PEG305 |
site_id | AC7 |
Number of Residues | 21 |
Details | binding site for residue FDA C 301 |
Chain | Residue |
A | THR55 |
A | GLU58 |
A | ILE81 |
A | ASN163 |
A | ARG165 |
A | HUF301 |
B | SER83 |
B | ASN85 |
B | GLU86 |
B | SER88 |
C | ARG78 |
C | HIS79 |
C | ARG80 |
C | ILE81 |
C | ASN169 |
C | LEU173 |
C | ARG174 |
C | HIS178 |
C | HOH415 |
C | HOH417 |
C | HOH432 |
site_id | AC8 |
Number of Residues | 9 |
Details | binding site for residue PO4 C 302 |
Chain | Residue |
C | ARG90 |
C | ARG147 |
C | HOH408 |
C | HOH422 |
B | GLN75 |
B | HUF301 |
B | HOH404 |
C | SER88 |
C | GLY89 |
site_id | AC9 |
Number of Residues | 6 |
Details | binding site for residue PG4 C 303 |
Chain | Residue |
A | LEU173 |
A | HUF301 |
C | GLY52 |
C | HIS53 |
C | GLU54 |
C | PRO56 |
site_id | AD1 |
Number of Residues | 23 |
Details | binding site for residue FDA D 301 |
Chain | Residue |
A | SER83 |
A | ASN85 |
A | GLU86 |
A | SER88 |
B | GLY52 |
B | HIS53 |
B | THR55 |
B | GLU58 |
B | ILE81 |
B | ASN163 |
B | ARG165 |
B | HUF301 |
B | PEG304 |
D | ARG78 |
D | HIS79 |
D | ARG80 |
D | ILE81 |
D | ASN169 |
D | LEU173 |
D | ARG174 |
D | HOH413 |
D | HOH420 |
D | HOH425 |
site_id | AD2 |
Number of Residues | 9 |
Details | binding site for residue PO4 D 302 |
Chain | Residue |
A | GLN75 |
A | HUF301 |
D | SER88 |
D | GLY89 |
D | ARG90 |
D | ARG147 |
D | HOH404 |
D | HOH406 |
D | HOH422 |
site_id | AD3 |
Number of Residues | 3 |
Details | binding site for residue PEG D 303 |
Chain | Residue |
B | HUF301 |
D | HIS53 |
D | THR55 |
site_id | AD4 |
Number of Residues | 4 |
Details | binding site for residue PEG D 304 |
Chain | Residue |
A | GLY89 |
A | ARG147 |
D | ARG74 |
D | LEU152 |
site_id | AD5 |
Number of Residues | 6 |
Details | binding site for residue PEG D 305 |
Chain | Residue |
B | HUF301 |
B | PEG304 |
D | GLU54 |
D | ARG165 |
D | MET168 |
D | ASN169 |
site_id | AD6 |
Number of Residues | 5 |
Details | binding site for residue PEG D 306 |
Chain | Residue |
D | LYS8 |
D | TYR96 |
D | GLU97 |
D | PHE98 |
D | ILE100 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 4 |
Details | ACT_SITE: Involved in ionization of N3 of dUMP, leading to its activation => ECO:0000269|PubMed:27214228 |
Chain | Residue | Details |
A | ARG174 | |
B | ARG174 | |
C | ARG174 | |
D | ARG174 |
site_id | SWS_FT_FI2 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW |
Chain | Residue | Details |
A | THR55 | |
B | THR55 | |
C | THR55 | |
D | THR55 |
site_id | SWS_FT_FI3 |
Number of Residues | 8 |
Details | BINDING: BINDING => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GT9, ECO:0007744|PDB:4KAS |
Chain | Residue | Details |
A | GLN75 | |
A | ARG174 | |
B | GLN75 | |
B | ARG174 | |
C | GLN75 | |
C | ARG174 | |
D | GLN75 | |
D | ARG174 |
site_id | SWS_FT_FI4 |
Number of Residues | 16 |
Details | BINDING: BINDING => ECO:0000269|PubMed:12211025, ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1KQ4, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW |
Chain | Residue | Details |
A | ARG78 | |
C | GLU86 | |
C | ASN163 | |
C | ASN169 | |
D | ARG78 | |
D | GLU86 | |
D | ASN163 | |
D | ASN169 | |
A | GLU86 | |
A | ASN163 | |
A | ASN169 | |
B | ARG78 | |
B | GLU86 | |
B | ASN163 | |
B | ASN169 | |
C | ARG78 |
site_id | SWS_FT_FI5 |
Number of Residues | 4 |
Details | BINDING: in other chain => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GT9, ECO:0007744|PDB:4KAS |
Chain | Residue | Details |
A | ARG147 | |
B | ARG147 | |
C | ARG147 | |
D | ARG147 |