Research workbench
Crystal structure of the ZRD-deleted mutant of TiaS in complex with agmatine
Analyse Crystal structure of the ZRD-deleted mutant of TiaS in complex with agmatine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3AU7
- Type
- protein
- Length
- 355 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.6
- Source
- Archaeoglobus fulgidus
- Molecule
- Putative uncharacterized protein
- UniProt
- O28025
- Ligands
- AG2
- Pockets
- 3 · best druggability 0.53
Structure
x-ray diffraction · resolution 2.6 · 1 distinct chain · 28% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative uncharacterized protein | protein | 355 | 28% helix, 33% strand | O28025 |
Ligands and binding sites
- AG2 · Agmatine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 237 | 0.53 | 0.77 | 35 | AG2 |
| 2 | 90 | 0.38 | 0.76 | 16 | empty |
| 3 | 69 | 0.32 | 0.74 | 12 | empty |
Compared structures
- 3AU7 · Crystal structure of the zrd-deleted mutant of tias in complex with agmatine · the same entry in another collection · chain A against A, TM-score 1.00
- O28025 · AlphaFold monomer V2.0 prediction for TRNA(ILE2) 2-agmatinylcytidine synthetase tias… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O28025
- Elsewhere: RCSB PDB 3AU7 · PDBe 3AU7 · UniProt O28025
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