Research workbench
Human thymidylate synthase M190K with bound 4-bromobenzene-1,2,3-triol
Analyse Human thymidylate synthase M190K with bound 4-bromobenzene-1,2,3-triol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4G6W
- Type
- protein
- Length
- 270 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
- PBX, SO4
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Thymidylate synthase (EC 2.1.1.45) | protein | 270 | 33% helix, 25% strand | P04818 |
Ligands and binding sites
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 | 361 | 0.60 | 0.77 | 37 | empty |
| 2 | 105 | 0.37 | 0.75 | 17 | empty |
Modifications
Observed in the structure: 2 modified (artifact, oxidation).
Compared structures
- 4G6W · Human Thymidylate Synthase M190K with bound 4-Bromobenzene-1,2,3-triol · the same entry in another collection · chain X against X, 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 4G6W · PDBe 4G6W · UniProt P04818
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