4KAS
Crystal structure of FDTS from T. maritima mutant (H53D) with FAD and dUMP
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 | 14 |
Details | BINDING SITE FOR RESIDUE DU A 301 |
Chain | Residue |
A | GLU86 |
D | ARG74 |
D | GLN75 |
D | ARG78 |
D | ARG174 |
D | FAD301 |
A | LEU87 |
A | SER88 |
A | GLY89 |
A | ARG90 |
A | ARG147 |
A | HOH408 |
A | HOH417 |
A | HOH449 |
site_id | AC2 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 A 302 |
Chain | Residue |
A | ARG78 |
A | HIS79 |
A | ARG80 |
A | ILE81 |
A | ASN169 |
site_id | AC3 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE DU B 301 |
Chain | Residue |
B | GLU86 |
B | LEU87 |
B | SER88 |
B | GLY89 |
B | ARG90 |
B | ARG147 |
B | HOH406 |
B | HOH407 |
C | ARG74 |
C | GLN75 |
C | ARG78 |
C | ARG174 |
C | FAD301 |
site_id | AC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 B 302 |
Chain | Residue |
B | ARG78 |
B | HIS79 |
B | ARG80 |
B | ILE81 |
B | ASN169 |
site_id | AC5 |
Number of Residues | 23 |
Details | BINDING SITE FOR RESIDUE FAD C 301 |
Chain | Residue |
A | SER30 |
A | THR55 |
A | GLU58 |
A | ILE81 |
A | ASN163 |
A | ARG165 |
A | SER166 |
B | ASN85 |
B | GLU86 |
B | SER88 |
B | TYR91 |
B | DU301 |
C | ARG78 |
C | HIS79 |
C | ARG80 |
C | ILE81 |
C | ASN169 |
C | LEU173 |
C | HIS178 |
C | HOH403 |
C | HOH405 |
C | HOH407 |
C | HOH488 |
site_id | AC6 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE DU C 302 |
Chain | Residue |
B | GLN75 |
B | ARG78 |
B | ARG174 |
C | GLU86 |
C | LEU87 |
C | SER88 |
C | GLY89 |
C | ARG90 |
C | ARG147 |
C | HOH409 |
C | HOH413 |
site_id | AC7 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE CL C 303 |
Chain | Residue |
C | TYR208 |
site_id | AC8 |
Number of Residues | 25 |
Details | BINDING SITE FOR RESIDUE FAD D 301 |
Chain | Residue |
A | SER83 |
A | ASN85 |
A | GLU86 |
A | TYR91 |
A | DU301 |
B | SER30 |
B | ASP53 |
B | THR55 |
B | GLU58 |
B | ILE81 |
B | ASN163 |
B | ARG165 |
B | ASN169 |
D | ARG78 |
D | HIS79 |
D | ARG80 |
D | ILE81 |
D | ASN169 |
D | LEU173 |
D | ARG174 |
D | HIS178 |
D | HOH406 |
D | HOH415 |
D | HOH450 |
D | HOH468 |
site_id | AC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE PO4 D 302 |
Chain | Residue |
D | ARG147 |
D | HOH451 |
D | HOH470 |
A | GLN75 |
A | HOH435 |
site_id | BC1 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE 2PE D 303 |
Chain | Residue |
C | GLU203 |
C | LEU215 |
C | LYS216 |
C | GLN219 |
D | HIS43 |
D | GLU46 |
D | LYS50 |
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 |