MolNFT v1 · #9543 · protein
Crystal structure of human thymidylate synthase
1HZW: “Crystal structure of human thymidylate synthase”. X-ray diffraction, 1 ligand (PO4), 8 pockets (best druggability 0.64). MolNFT v1 #9543 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1HZW
- Type
- protein
- Length
- 559 residues
- Chains
- 2
- 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
- 8 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thymidylate synthase (EC 2.1.1.45) | protein | 280 | 35% helix, 24% strand | P04818 |
| B | Thymidylate synthase (EC 2.1.1.45) | protein | 279 | 34% helix, 24% strand | P04818 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 401 | 0.64 | 0.78 | 37 | PO4 |
| 2 | 353 | 0.62 | 0.78 | 31 | PO4 |
| 3 | 76 | 0.43 | 0.80 | 20 | empty |
| 4 | 66 | 0.43 | 0.81 | 18 | empty |
| 5 | 68 | 0.37 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2352 Ų buried · 41 hydrogen bonds · protein-protein
Compared structures
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 1HZW · PDBe 1HZW · UniProt P04818
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