MolNFT v1 · #48033 · protein
Crystal structure of adenosine deaminase from plasmodium vivax in complex with pentostatin
2PGR: “Crystal structure of adenosine deaminase from plasmodium vivax in complex with pentostatin”. X-ray diffraction, 3 ligands (CCN, DCF, ZN), 3 pockets (best druggability 0.78). MolNFT v1 #48033 on GenesisL1: 3D structure, binding sites…
- PDB
- 2PGR
- Type
- protein
- Length
- 359 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosine deaminase
- EC
- 3.5.4.4
- UniProt
- A5KE01
- Ligands
- CCN, DCF, ZN
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosine deaminase (EC 3.5.4.4) | protein | 359 | 53% helix, 14% strand | A5KE01 |
Ligands and binding sites
- CCN · Acetonitrile · ligand · 2 copies · chains A
- DCF · 2'-deoxycoformycin · ligand · chains A
- ZN · Zinc ion · metal · 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 | 98 | 0.78 | 0.98 | 25 | DCF |
| 2 | 118 | 0.41 | 0.76 | 17 | CCN |
| 3 | 52 | 0.34 | 0.79 | 14 | empty |
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 2PGR · Crystal structure of adenosine deaminase from Plasmodium vivax in complex with pentostatin · the same entry in another collection · chain A against A, TM-score 1.00
- A5KE01 · AlphaFold monomer V2.0 prediction for adenosine deaminase (A5KE01) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 A5KE01
- Elsewhere: RCSB PDB 2PGR · PDBe 2PGR · UniProt A5KE01
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.