MolNFT v1 · #186879 · protein
Crystal structure of the human adenosine deaminase 1
7RTG: “Crystal structure of the human adenosine deaminase 1”. X-ray diffraction, 1 ligand (ZN), 8 pockets (best druggability 0.65). MolNFT v1 #186879 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7RTG
- Type
- protein
- Length
- 701 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosine deaminase
- EC
- 3.5.4.4
- UniProt
- P00813
- Ligands
- ZN
- Pockets
- 8 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosine deaminase (EC 3.5.4.4) | protein | 349 | 52% helix, 14% strand | P00813 |
| B | Adenosine deaminase (EC 3.5.4.4) | protein | 352 | 51% helix, 14% strand | P00813 |
Ligands and binding sites
- 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
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 236 | 0.65 | 0.83 | 34 | empty |
| 2 | 179 | 0.64 | 0.84 | 31 | empty |
| 3 | 306 | 0.60 | 0.78 | 29 | empty |
| 4 | 283 | 0.57 | 0.77 | 36 | empty |
| 5 | 64 | 0.37 | 0.78 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 444 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
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 P00813
- Elsewhere: RCSB PDB 7RTG · PDBe 7RTG · UniProt P00813
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