Research workbench
Crystal structure of RolR (NCGL1110) without ligand
Analyse Crystal structure of RolR (NCGL1110) without ligand in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3AQS
- Type
- protein
- Length
- 742 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 3.6
- Source
- Corynebacterium glutamicum
- Molecule
- Bacterial regulatory proteins, tetR family
- UniProt
- Q8NR95
- Pockets
- 7 · best druggability 0.73
Structure
x-ray diffraction · resolution 3.6 · 2 distinct chains · 67% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Bacterial regulatory proteins, tetR family | protein | 185 | 65% helix, 0% strand | Q8NR95 |
| B, D | Bacterial regulatory proteins, tetR family | protein | 186 | 68% helix, 0% strand | Q8NR95 |
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.73 | 0.99 | 17 | empty |
| 2 | 52 | 0.71 | 0.98 | 18 | empty |
| 3 | 56 | 0.71 | 0.98 | 19 | empty |
| 4 | 148 | 0.58 | 0.83 | 24 | empty |
| 5 | 337 | 0.55 | 0.75 | 43 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1106 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 1062 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 390 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 44 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3AQS · Crystal structure of rolr (NCGL1110) without ligand · 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 Q8NR95
- Elsewhere: RCSB PDB 3AQS · PDBe 3AQS · UniProt Q8NR95
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