Research workbench
Crystal structure of diiron adenine deaminase
Analyse Crystal structure of diiron adenine deaminase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3T81
- Type
- protein
- Length
- 1,166 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenine deaminase 2
- EC
- 3.5.4.2
- UniProt
- Q7CUX4
- Ligands
- FE
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenine deaminase 2 (EC 3.5.4.2) | protein | 587 | 29% helix, 28% strand | Q7CUX4 |
| B | Adenine deaminase 2 (EC 3.5.4.2) | protein | 579 | 30% helix, 23% strand | Q7CUX4 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1048 | 0.82 | 0.83 | 115 | empty |
| 2 | 708 | 0.78 | 0.82 | 87 | empty |
| 3 | 490 | 0.77 | 0.85 | 69 | empty |
| 4 | 176 | 0.57 | 0.81 | 24 | empty |
| 5 | 154 | 0.49 | 0.78 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 2225 Ų buried · 30 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 modified (engineered).
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 Q7CUX4
- Elsewhere: RCSB PDB 3T81 · PDBe 3T81 · UniProt Q7CUX4
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