MolNFT v1 · #106691 · protein
Complex of E. COLI thymidylate kinase with the bisubstrate inhibitor TP5A
4TMK · Protein (thymidylate kinase): “Complex of E. COLI thymidylate kinase with the bisubstrate inhibitor TP5A”. X-ray diffraction, 1 ligand (T5A), 1 pocket (best druggability 0.58). MolNFT v1 #106691 on GenesisL1: 3D structure, binding…
- PDB
- 4TMK
- Type
- protein
- Length
- 210 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (thymidylate kinase)
- EC
- 2.7.4.9
- UniProt
- P0A720
- Ligands
- T5A
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (thymidylate kinase) (EC 2.7.4.9) | protein | 210 | 56% helix, 13% strand | P0A720 |
Ligands and binding sites
- T5A · P1-(5'-adenosyl)p5-(5'-thymidyl)pentaphosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 183 | 0.58 | 0.81 | 28 | T5A |
Compared structures
- 4TMK · Complex of E. COLI thymidylate kinase with the bisubstrate inhibitor TP5A · the same entry in another collection · chain A against A, TM-score 1.00
- P0A720 · AlphaFold monomer V2.0 prediction for thymidylate kinase (P0A720) · a predicted model of the same protein · 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 P0A720
- Elsewhere: RCSB PDB 4TMK · PDBe 4TMK · UniProt P0A720
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