Research workbench
Crystal Structure of DesT bound to desCB promoter and oleoyl-CoA
Analyse Crystal Structure of DesT bound to desCB promoter and oleoyl-CoA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3LSP
- Type
- protein + DNA
- Length
- 240 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.66
- Source
- Pseudomonas aeruginosa; SYNTHETIC CONSTRUCT
- Molecule
- DesT; DNA (5'-D(*TP*TP*AP*CP*AP*TP*CP*AP*GP*TP*GP*AP*AP*CP*GP*CP*TP*TP*GP*TP*TP*GP*AP*CP*T…
- UniProt
- Q9HUS3
- Ligands
- OLA, SO4
- Pockets
- 1 · best druggability 0.80
Structure
x-ray diffraction · resolution 2.66 · 3 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DesT | protein | 194 | 78% helix, 0% strand | Q9HUS3 |
| B | DNA (5'-D(*TP*TP*AP*CP*AP*TP*CP*AP*GP*TP*GP*AP*AP*CP*GP*CP*TP*TP*GP*TP*TP*GP*AP*CP*TP*CP*GP*AP*TP*TP*G)-3') | dna | 23 | — | — |
| D | DNA (5'-D(*TP*CP*AP*AP*TP*CP*GP*AP*GP*TP*CP*AP*AP*CP*AP*AP*GP*CP*GP*TP*TP*CP*AP*CP*TP*GP*AP*TP*GP*TP*A)-3') | dna | 23 | — | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 356 | 0.80 | 0.89 | 34 | OLA |
Interfaces
3 interfaces between chains.
- B–D · 1780 Ų buried · 851 hydrogen bonds · nucleic-nucleic
- A–B · 430 Ų buried · 9 hydrogen bonds · protein-nucleic
- A–D · 426 Ų buried · 9 hydrogen bonds · protein-nucleic
Compared structures
- 3LSP · Crystal structure of dest bound to descb promoter and oleoyl-CoA · 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 Q9HUS3
- Elsewhere: RCSB PDB 3LSP · PDBe 3LSP · UniProt Q9HUS3
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