MolNFT v1 · #25678 · protein
Crystal structure of mycobacterium tuberculosis thymidylate kinase complexed with azidothymidine monophosphate (azt-mp) (2.0 a resolution)
1W2H · Thymidylate kinase tmk: “Crystal structure of mycobacterium tuberculosis thymidylate kinase complexed with azidothymidine…”. X-ray diffraction, 1 ligand (ATM), 3 pockets (best druggability 0.63). MolNFT v1 #25678 on GenesisL1: 3D…
- PDB
- 1W2H
- Type
- protein
- Length
- 390 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thymidylate kinase tmk
- EC
- 2.7.4.9
- UniProt
- O05891
- Ligands
- ATM
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thymidylate kinase tmk (EC 2.7.4.9) | protein | 190 | 54% helix, 13% strand | O05891 |
| B | Thymidylate kinase tmk (EC 2.7.4.9) | protein | 200 | 54% helix, 12% strand | O05891 |
Ligands and binding sites
- ATM · 3'-azido-3'-deoxythymidine-5'-monophosphate · ligand · 3 copies · chains A, B
- ACT · Acetate ion · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 214 | 0.63 | 0.83 | 33 | ACT, ATM |
| 2 | 165 | 0.58 | 0.82 | 21 | ATM |
| 3 | 101 | 0.36 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 856 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 1W2H · Crystal Structure Of Mycobacterium Tuberculosis Thymidylate Kinase Complexed With… · 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 O05891
- Elsewhere: RCSB PDB 1W2H · PDBe 1W2H · UniProt O05891
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.