MolNFT v1 · #28819 · protein
Structure of human thymidylate synthase at low salt conditions
1YPV: “Structure of human thymidylate synthase at low salt conditions”. X-ray diffraction, 1 ligand (PO4), 2 pockets (best druggability 0.57). MolNFT v1 #28819 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1YPV
- 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
- P04818
- Ligands
- PO4
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thymidylate synthase (EC 2.1.1.45) | protein | 264 | 31% helix, 25% strand | P04818 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 343 | 0.57 | 0.75 | 41 | empty |
| 2 | 61 | 0.27 | 0.73 | 15 | PO4 |
Modifications
Observed in the structure: 4 modified (artifact, methylation).
Compared structures
- 1YPV · Structure of human thymidylate synthase at low salt conditions · the same entry in another collection · chain A 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 P04818
- Elsewhere: RCSB PDB 1YPV · PDBe 1YPV · UniProt P04818
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