MolNFT v1 · #82049 · protein
Adenosine kinase from schistosoma mansoni in complex with adenosine
3VAQ · Putative adenosine kinase: “Adenosine kinase from schistosoma mansoni in complex with adenosine”. X-ray diffraction, 2 ligands (ADN, CL), 8 pockets (best druggability 0.79). MolNFT v1 #82049 on GenesisL1: 3D structure, binding sites…
- PDB
- 3VAQ
- Type
- protein
- Length
- 688 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative adenosine kinase
- EC
- 2.7.1.20
- UniProt
- G4V7G8
- Ligands
- ADN, CL
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative adenosine kinase (EC 2.7.1.20) | protein | 345 | 41% helix, 22% strand | G4V7G8 |
| B | Putative adenosine kinase (EC 2.7.1.20) | protein | 343 | 41% helix, 22% strand | G4V7G8 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 357 | 0.79 | 0.88 | 56 | ADN, CL |
| 2 | 555 | 0.78 | 0.84 | 61 | ADN, CL |
| 3 | 390 | 0.57 | 0.75 | 44 | empty |
| 4 | 202 | 0.49 | 0.76 | 25 | empty |
| 5 | 207 | 0.48 | 0.75 | 33 | empty |
Interfaces
1 interface between chains.
- A–B · 715 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3VAQ · Adenosine kinase from Schistosoma mansoni in complex with adenosine · 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 G4V7G8
- Elsewhere: RCSB PDB 3VAQ · PDBe 3VAQ · UniProt G4V7G8
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