Research workbench
Crystal structure of protein of unknown function ATU1826, a putative ALPHA/BETA hydrolase from agrobacterium tumefaciens
Analyse Crystal structure of protein of unknown function ATU1826, a putative ALPHA/BETA… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2I3D
- Type
- protein
- Length
- 438 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein ATU1826
- UniProt
- Q8UED4
- Ligands
- MG, CL
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein ATU1826 | protein | 218 | 33% helix, 22% strand | Q8UED4 |
| B | Hypothetical protein ATU1826 | protein | 220 | 33% helix, 22% strand | Q8UED4 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 82 | 0.72 | 0.96 | 24 | CL |
| 2 | 197 | 0.55 | 0.79 | 30 | CL |
| 3 | 183 | 0.50 | 0.77 | 30 | CL |
| 4 | 73 | 0.33 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 687 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 modified (engineered).
Compared structures
- 2I3D · Crystal Structure of Protein of Unknown Function ATU1826, a Putative Alpha/Beta Hydrolase… · the same entry in another collection · 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 Q8UED4
- Elsewhere: RCSB PDB 2I3D · PDBe 2I3D · UniProt Q8UED4
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