MolNFT v1 · #70299 · protein
Crystal structure of human adenosine deaminase growth factor, adenosine deaminase type 2 (ADA2) complexed with transition state analogue, coformycin
3LGG · Adenosine deaminase CECR1: “Crystal structure of human adenosine deaminase growth factor, adenosine deaminase type 2 (ADA2) complexed…”. X-ray diffraction, 3 ligands (CFE, NAG, ZN), 19 pockets (best druggability 0.73). MolNFT v1…
- PDB
- 3LGG
- Type
- protein
- Length
- 964 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosine deaminase CECR1
- EC
- 3.5.4.4
- UniProt
- Q9NZK5
- Ligands
- CFE, NAG, ZN
- Pockets
- 19 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Adenosine deaminase CECR1 (EC 3.5.4.4) | protein | 482 | 51% helix, 12% strand | Q9NZK5 |
Ligands and binding sites
- CFE · (8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 804 | 0.73 | 0.78 | 69 | empty |
| 2 | 55 | 0.70 | 0.97 | 28 | empty |
| 3 | 51 | 0.68 | 0.97 | 16 | empty |
| 4 | 284 | 0.67 | 0.82 | 45 | CFE |
| 5 | 281 | 0.65 | 0.81 | 44 | CFE |
Interfaces
1 interface between chains.
- A–B · 2425 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 glycan, 2 disulfide (N-glycosylation, disulfide).
Compared structures
- 3LGG · Crystal structure of human adenosine deaminase growth factor, adenosine deaminase type 2… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NZK5 · AlphaFold monomer V2.0 prediction for adenosine deaminase 2 (Q9NZK5) · 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 Q9NZK5
- Elsewhere: RCSB PDB 3LGG · PDBe 3LGG · UniProt Q9NZK5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.