Research workbench
Crystal structure of EHV4-tk complexed with thy and SO4
Analyse Crystal structure of EHV4-tk complexed with thy and SO4 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1P6X
- Type
- protein
- Length
- 664 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thymidine kinase
- EC
- 2.7.1.21
- UniProt
- P24425
- Ligands
- THM, SO4
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thymidine kinase (EC 2.7.1.21) | protein | 333 | 52% helix, 14% strand | P24425 |
| B | Thymidine kinase (EC 2.7.1.21) | protein | 331 | 50% helix, 14% strand | P24425 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 302 | 0.71 | 0.84 | 44 | SO4, THM |
| 2 | 318 | 0.68 | 0.82 | 33 | empty |
| 3 | 407 | 0.63 | 0.78 | 46 | SO4, THM |
| 4 | 79 | 0.33 | 0.75 | 18 | empty |
| 5 | 66 | 0.30 | 0.74 | 18 | SO4 |
Interfaces
1 interface between chains.
- A–B · 2028 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 1P6X · Crystal structure of EHV4-TK complexed with Thy and SO4 · 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 P24425
- Elsewhere: RCSB PDB 1P6X · PDBe 1P6X · UniProt P24425
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