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Crystal structure of a putative isomerase of the snoal-like family (ATU_0744) from agrobacterium tumefaciens str. C58 at 2.70 a resolution
Analyse Crystal structure of a putative isomerase of the snoal-like family (ATU_0744)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3DXO
- Type
- protein
- Length
- 235 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized snoal-like protein
- UniProt
- Q7D0S4
- Pockets
- 4 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized snoal-like protein | protein | 117 | 35% helix, 44% strand | Q7D0S4 |
| B | Uncharacterized snoal-like protein | protein | 118 | 35% helix, 43% strand | Q7D0S4 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B
- PGE · Triethylene glycol · additive · chains A
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 | 130 | 0.63 | 0.86 | 28 | PEG |
| 2 | 132 | 0.61 | 0.85 | 28 | PGE, PEG |
| 3 | 71 | 0.42 | 0.80 | 17 | empty |
| 4 | 112 | 0.38 | 0.75 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 598 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 3DXO · Crystal structure of a putative isomerase of the snoal-like family (ATU_0744) from… · 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 Q7D0S4
- Elsewhere: RCSB PDB 3DXO · PDBe 3DXO · UniProt Q7D0S4
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