MolNFT v1 · #25494 · protein
Thymidine kinase from herpes simplex virus type 1 in complex with ADP and deoxythymidine-monophosphate
1VTK: “Thymidine kinase from herpes simplex virus type 1 in complex with ADP and deoxythymidine-monophosphate”. X-ray diffraction, 2 ligands (ADP, TMP), 3 pockets (best druggability 0.73). MolNFT v1 #25494 on GenesisL1: 3D structure…
- PDB
- 1VTK
- Type
- protein
- Length
- 313 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thymidine kinase
- EC
- 2.7.1.21
- UniProt
- P03176
- Ligands
- ADP, TMP
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thymidine kinase (EC 2.7.1.21) | protein | 313 | 55% helix, 12% strand | P03176 |
Ligands and binding sites
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 | 181 | 0.73 | 0.90 | 36 | ADP, TMP |
| 2 | 51 | 0.38 | 0.80 | 17 | empty |
| 3 | 87 | 0.37 | 0.76 | 16 | empty |
Compared structures
- 1VTK · Thymidine kinase from herpes simplex virus type 1 in complex with ADP and… · 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 P03176
- Elsewhere: RCSB PDB 1VTK · PDBe 1VTK · UniProt P03176
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