Research workbench
Crystal structuore of adenosine deaminase from mus musculus complexed with 9-deazainosine
Analyse Crystal structuore of adenosine deaminase from mus musculus complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3KM8
- Type
- protein
- Length
- 698 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosine deaminase
- EC
- 3.5.4.4
- UniProt
- P03958
- Ligands
- 9DI, ZN
- Pockets
- 6 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Adenosine deaminase (EC 3.5.4.4) | protein | 349 | 52% helix, 14% strand | P03958 |
Ligands and binding sites
- 9DI · 9-deazainosine · ligand · 2 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
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 187 | 0.66 | 0.85 | 31 | 9DI |
| 2 | 161 | 0.63 | 0.85 | 33 | 9DI |
| 3 | 233 | 0.62 | 0.81 | 35 | empty |
| 4 | 240 | 0.51 | 0.75 | 23 | empty |
| 5 | 121 | 0.43 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 519 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3KM8 · Crystal structuore of adenosine deaminase from mus musculus complexed with 9-deazainosine · the same entry in another collection · chain A against A, TM-score 1.00
- P03958 · AlphaFold monomer V2.0 prediction for adenosine deaminase (P03958) · 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 P03958
- Elsewhere: RCSB PDB 3KM8 · PDBe 3KM8 · UniProt P03958
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