Research workbench
Structure of thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors
Analyse Structure of thymidylate synthase suggests advantages of chemotherapy with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1HW4
- Type
- protein
- Length
- 263 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thymidylate synthase
- EC
- 2.1.1.45
- UniProt
- P04818
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thymidylate synthase (EC 2.1.1.45) | protein | 263 | 33% helix, 26% strand | P04818 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 202 | 0.48 | 0.75 | 28 | empty |
| 2 | 57 | 0.29 | 0.74 | 15 | empty |
| 3 | 70 | 0.28 | 0.72 | 15 | empty |
| 4 | 54 | 0.26 | 0.74 | 14 | SO4 |
Modifications
Observed in the structure: 3 modified (artifact).
Compared structures
- 1HW4 · Structure of thymidylate synthase suggests advantages of chemotherapy with noncompetitive… · the same entry in another collection · chain A against A, TM-score 1.00
- P04818 · AlphaFold monomer V2.0 prediction for thymidylate synthase (P04818) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P04818
- Elsewhere: RCSB PDB 1HW4 · PDBe 1HW4 · UniProt P04818
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