Research workbench
Crystal structure of a tetr transcription regulator from haloarcula marismortui atcc 43049
Analyse Crystal structure of a tetr transcription regulator from haloarcula marismortui… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3CRJ
- Type
- protein
- Length
- 746 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcription regulator
- UniProt
- Q5V649
- Ligands
- CL
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcription regulator | protein | 190 | 80% helix, 0% strand | Q5V649 |
| B | Transcription regulator | protein | 188 | 78% helix, 0% strand | Q5V649 |
| C | Transcription regulator | protein | 179 | 72% helix, 0% strand | Q5V649 |
| D | Transcription regulator | protein | 189 | 77% helix, 0% strand | Q5V649 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 372 | 0.74 | 0.85 | 46 | CL |
| 2 | 328 | 0.74 | 0.86 | 28 | empty |
| 3 | 330 | 0.59 | 0.77 | 33 | empty |
| 4 | 152 | 0.55 | 0.81 | 24 | empty |
| 5 | 147 | 0.52 | 0.79 | 25 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1715 Ų buried · 30 hydrogen bonds · protein-protein
- C–D · 1698 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 830 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
- 3CRJ · Crystal structure of a TetR transcription regulator from Haloarcula marismortui ATCC 43049 · 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 Q5V649
- Elsewhere: RCSB PDB 3CRJ · PDBe 3CRJ · UniProt Q5V649
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