Research workbench
Adenosine kinase from schistosoma mansoni in complex with adenosine in occluded loop conformation
Analyse Adenosine kinase from schistosoma mansoni in complex with adenosine in occluded… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3VAS
- 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
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative adenosine kinase (EC 2.7.1.20) | protein | 345 | 42% helix, 23% strand | G4V7G8 |
| B | Putative adenosine kinase (EC 2.7.1.20) | protein | 343 | 43% helix, 23% strand | G4V7G8 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 473 | 0.77 | 0.85 | 59 | ADN, CL |
| 2 | 342 | 0.77 | 0.87 | 62 | ADN, CL |
| 3 | 388 | 0.57 | 0.74 | 40 | empty |
| 4 | 242 | 0.50 | 0.74 | 39 | empty |
| 5 | 231 | 0.50 | 0.75 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 697 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3VAS · Adenosine kinase from Schistosoma mansoni in complex with adenosine in occluded loop… · 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 3VAS · PDBe 3VAS · UniProt G4V7G8
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