MolNFT v1 · #63001 · protein
Crystal structure of adenosine deaminase from plasmodial vivax in complex with mt-coformycin
3EWC: “Crystal structure of adenosine deaminase from plasmodial vivax in complex with mt-coformycin”. X-ray diffraction, 2 ligands (MCF, ZN), 2 pockets (best druggability 0.78). MolNFT v1 #63001 on GenesisL1: 3D structure, binding sites…
- PDB
- 3EWC
- Type
- protein
- Length
- 357 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
- MCF, ZN
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosine deaminase (EC 3.5.4.4) | protein | 357 | 55% helix, 14% strand | A5KE01 |
Ligands and binding sites
- MCF · (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7, 8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol · 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
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.78 | 0.97 | 25 | MCF |
| 2 | 174 | 0.45 | 0.75 | 18 | empty |
Compared structures
- 3EWC · Crystal Structure of adenosine deaminase from Plasmodial vivax in complex with… · 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 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 A5KE01
- Elsewhere: RCSB PDB 3EWC · PDBe 3EWC · UniProt A5KE01
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