Research workbench
The crystal structure of adenosine deaminase with adenine bound from pseudomonas aeruginosa
Analyse The crystal structure of adenosine deaminase with adenine bound from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3PAO
- Type
- protein
- Length
- 627 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosine deaminase
- EC
- 3.5.4.4
- UniProt
- Q9I6Y4
- Ligands
- ADE, ZN
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosine deaminase (EC 3.5.4.4) | protein | 313 | 58% helix, 12% strand | Q9I6Y4 |
| B | Adenosine deaminase (EC 3.5.4.4) | protein | 314 | 56% helix, 14% strand | Q9I6Y4 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 198 | 0.46 | 0.75 | 33 | empty |
Interfaces
1 interface between chains.
- A–B · 792 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 3PAO · The crystal structure of adenosine deaminase with adenine bound from Pseudomonas… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I6Y4 · AlphaFold monomer V2.0 prediction for adenine deaminase (Q9I6Y4) · a predicted model of the same protein · chain B 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 Q9I6Y4
- Elsewhere: RCSB PDB 3PAO · PDBe 3PAO · UniProt Q9I6Y4
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