Research workbench
Thermotoga maritima thymidine kinase 1 like enzyme in complex with TP4A
Analyse Thermotoga maritima thymidine kinase 1 like enzyme in complex with TP4A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ORW
- Type
- protein
- Length
- 344 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thymidine kinase
- EC
- 2.7.1.21
- UniProt
- Q9WYN2
- Ligands
- 4TA, ZN, MG
- Pockets
- 2 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thymidine kinase (EC 2.7.1.21) | protein | 171 | 29% helix, 29% strand | Q9WYN2 |
| B | Thymidine kinase (EC 2.7.1.21) | protein | 173 | 29% helix, 28% strand | Q9WYN2 |
Ligands and binding sites
- 4TA · P1-(5'-adenosyl)p4-(5'-(2'-deoxy-thymidyl))tetraphosphate · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 288 | 0.61 | 0.79 | 34 | MG, 4TA |
| 2 | 233 | 0.60 | 0.80 | 37 | MG, 4TA |
Interfaces
1 interface between chains.
- A–B · 1164 Ų buried · 18 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 Q9WYN2
- Elsewhere: RCSB PDB 2ORW · PDBe 2ORW · UniProt Q9WYN2
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