MolNFT v1 · #103943 · protein
Micobacterial adenosine kinase in complex with inhibitor
4PVV: “Micobacterial adenosine kinase in complex with inhibitor”. X-ray diffraction, 1 ligand (HO4), 3 pockets (best druggability 0.65). MolNFT v1 #103943 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4PVV
- Type
- protein
- Length
- 321 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosine kinase
- EC
- 2.7.1.20
- UniProt
- P83734
- Ligands
- HO4
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosine kinase (EC 2.7.1.20) | protein | 321 | 41% helix, 21% strand | P83734 |
Ligands and binding sites
- HO4 · 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine · ligand · chains A
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 | 488 | 0.65 | 0.77 | 46 | HO4 |
| 2 | 123 | 0.50 | 0.80 | 22 | empty |
| 3 | 52 | 0.26 | 0.73 | 12 | empty |
Compared structures
- 4PVV · Micobacterial Adenosine Kinase in complex with inhibitor · 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 P83734
- Elsewhere: RCSB PDB 4PVV · PDBe 4PVV · UniProt P83734
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.