1O29
Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD and FdUMP at 2.0 A resolution
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 | 26 |
| Details | BINDING SITE FOR RESIDUE FAD D 800 |
| Chain | Residue |
| A | ASN85 |
| B | ILE81 |
| B | ASN163 |
| B | ARG165 |
| B | HOH641 |
| B | FAD810 |
| D | ARG78 |
| D | HIS79 |
| D | ARG80 |
| D | ILE81 |
| D | ASN169 |
| A | GLU86 |
| D | LEU173 |
| D | HIS178 |
| D | HOH315 |
| D | HOH320 |
| D | HOH371 |
| D | HOH421 |
| D | HOH521 |
| A | SER88 |
| A | TYR91 |
| A | HOH439 |
| A | UFP803 |
| B | SER30 |
| B | THR55 |
| B | GLU58 |
| site_id | AC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE UFP A 803 |
| Chain | Residue |
| A | GLU86 |
| A | LEU87 |
| A | SER88 |
| A | GLY89 |
| A | ARG90 |
| A | ARG147 |
| A | HOH341 |
| A | HOH563 |
| D | GLN75 |
| D | ARG78 |
| D | ARG174 |
| D | HOH329 |
| D | FAD800 |
| site_id | AC3 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE FAD C 805 |
| Chain | Residue |
| A | SER30 |
| A | THR55 |
| A | GLU58 |
| A | ILE81 |
| A | ASN163 |
| A | ARG165 |
| A | FAD815 |
| B | ASN85 |
| B | GLU86 |
| B | SER88 |
| B | TYR91 |
| B | HOH362 |
| B | UFP808 |
| C | ARG78 |
| C | HIS79 |
| C | ARG80 |
| C | ILE81 |
| C | ASN169 |
| C | LEU173 |
| C | HIS178 |
| C | HOH306 |
| C | HOH358 |
| C | HOH374 |
| C | HOH427 |
| C | HOH447 |
| C | HOH508 |
| C | HOH530 |
| C | HOH687 |
| site_id | AC4 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE UFP B 808 |
| Chain | Residue |
| B | GLU86 |
| B | LEU87 |
| B | SER88 |
| B | GLY89 |
| B | ARG90 |
| B | TYR91 |
| B | ARG147 |
| B | HOH307 |
| B | HOH338 |
| C | GLN75 |
| C | ARG78 |
| C | ARG174 |
| C | HOH347 |
| C | FAD805 |
| site_id | AC5 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE FAD B 810 |
| Chain | Residue |
| C | HOH345 |
| C | UFP813 |
| D | SER30 |
| D | HIS53 |
| D | THR55 |
| D | GLU58 |
| D | ILE81 |
| D | ASN163 |
| D | ARG165 |
| D | HOH703 |
| D | FAD800 |
| B | ARG78 |
| B | HIS79 |
| B | ARG80 |
| B | ILE81 |
| B | ASN169 |
| B | LEU173 |
| B | ARG174 |
| B | HIS178 |
| B | HOH311 |
| B | HOH409 |
| B | HOH434 |
| B | HOH446 |
| B | HOH496 |
| B | HOH515 |
| C | ASN85 |
| C | GLU86 |
| C | SER88 |
| C | TYR91 |
| site_id | AC6 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE UFP C 813 |
| Chain | Residue |
| B | GLN75 |
| B | ARG78 |
| B | ARG174 |
| B | FAD810 |
| C | GLU86 |
| C | LEU87 |
| C | SER88 |
| C | GLY89 |
| C | ARG90 |
| C | TYR91 |
| C | ARG147 |
| C | HOH309 |
| C | HOH407 |
| C | HOH540 |
| site_id | AC7 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE FAD A 815 |
| Chain | Residue |
| A | ARG78 |
| A | HIS79 |
| A | ARG80 |
| A | ILE81 |
| A | ASN169 |
| A | LEU173 |
| A | ARG174 |
| A | HIS178 |
| A | HOH316 |
| A | HOH321 |
| A | HOH381 |
| A | HOH428 |
| A | HOH611 |
| C | THR55 |
| C | GLU58 |
| C | ILE81 |
| C | ASN163 |
| C | ARG165 |
| C | HOH463 |
| C | FAD805 |
| D | ASN85 |
| D | GLU86 |
| D | SER88 |
| D | TYR91 |
| D | HOH353 |
| D | HOH503 |
| D | UFP818 |
| site_id | AC8 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE UFP D 818 |
| Chain | Residue |
| A | GLN75 |
| A | ARG78 |
| A | ARG174 |
| A | FAD815 |
| D | GLU86 |
| D | LEU87 |
| D | SER88 |
| D | GLY89 |
| D | ARG90 |
| D | TYR91 |
| D | ARG147 |
| D | HOH319 |
| D | HOH350 |
| D | HOH383 |
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 |
