Research workbench
Crystal structure of a putative tetr-transcriptional regulator (SAV143) from streptomyces avermitilis ma-4680 at 2.10 a resolution
Analyse Crystal structure of a putative tetr-transcriptional regulator (SAV143) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3JSJ
- Type
- protein
- Length
- 735 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative tetr-family transcriptional regulator
- UniProt
- Q82RK0
- Ligands
- MG
- Pockets
- 6 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Putative tetr-family transcriptional regulator | protein | 184 | 71% helix, 0% strand | Q82RK0 |
| C | Putative tetr-family transcriptional regulator | protein | 183 | 71% helix, 0% strand | Q82RK0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 218 | 0.60 | 0.81 | 34 | EDO |
| 2 | 196 | 0.59 | 0.81 | 23 | empty |
| 3 | 181 | 0.57 | 0.81 | 28 | empty |
| 4 | 176 | 0.55 | 0.79 | 23 | EDO |
| 5 | 51 | 0.54 | 0.89 | 19 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1692 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1680 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 414 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 405 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3JSJ · Crystal structure of a putative tetr-transcriptional regulator (sav143) from streptomyces… · 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 Q82RK0
- Elsewhere: RCSB PDB 3JSJ · PDBe 3JSJ · UniProt Q82RK0
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