Research workbench
Y94F mutant of thymidylate synthase bound to thymidine-5'-phosphate and 10-propargyl-5,8-dideazafolid acid
Analyse Y94F mutant of thymidylate synthase bound to thymidine-5'-phosphate and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2FTO
- Type
- protein
- Length
- 264 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thymidylate synthase
- EC
- 2.1.1.45
- UniProt
- P0A884
- Ligands
- TMP, CB3, PO4
- Pockets
- 1 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Thymidylate synthase (EC 2.1.1.45) | protein | 264 | 36% helix, 26% strand | P0A884 |
Ligands and binding sites
- TMP · Thymidine-5'-phosphate · ligand · chains X
- CB3 · 10-propargyl-5,8-dideazafolic acid · ligand · chains X
- PO4 · Phosphate ion · ion · 2 copies · chains X
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 449 | 0.73 | 0.82 | 48 | TMP, CB3 |
Modifications
Observed in the structure: 1 modified (carboxylation).
Compared structures
- 2FTO · Y94F mutant of thymidylate synthase bound to thymidine-5'-phosphate and… · the same entry in another collection · chain X against X, TM-score 1.00
- P0A884 · AlphaFold monomer V2.0 prediction for thymidylate synthase (P0A884) · a predicted model of the same protein · chain X against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P0A884
- Elsewhere: RCSB PDB 2FTO · PDBe 2FTO · UniProt P0A884
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