MolNFT v1 · #139102 · protein
Mutant human thymidylate synthase M190K crystallized in a sulfate- containing condition
5X4Y: “Mutant human thymidylate synthase M190K crystallized in a sulfate- containing condition”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.67). MolNFT v1 #139102 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5X4Y
- Type
- protein
- Length
- 278 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
- 3 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thymidylate synthase (EC 2.1.1.45) | protein | 278 | 36% helix, 24% strand | P04818 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 589 | 0.67 | 0.76 | 60 | SO4 |
| 2 | 50 | 0.28 | 0.75 | 15 | empty |
| 3 | 52 | 0.26 | 0.73 | 14 | empty |
Compared structures
- 5X4Y · Mutant human thymidylate synthase M190K crystallized in a sulfate-containing condition · 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 5X4Y · PDBe 5X4Y · UniProt P04818
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.