MolNFT v1 · #60154 · protein
Crystal structure of putative tetr transcriptional regulator (YP_510936.1) from jannaschia sp. CCS1 at 1.79 a resolution
3CJD · Transcriptional regulator, tetr family: “Crystal structure of putative tetr transcriptional regulator (YP_510936.1) from jannaschia sp. CCS1 at 1.79 a…”. X-ray diffraction, 2 ligands (STE, CL), 3 pockets (best druggability 0.83).…
- PDB
- 3CJD
- Type
- protein
- Length
- 364 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, tetr family
- UniProt
- Q28N01
- Ligands
- STE, CL
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, tetr family | protein | 182 | 77% helix, 0% strand | Q28N01 |
| B | Transcriptional regulator, tetr family | protein | 182 | 76% helix, 0% strand | Q28N01 |
Ligands and binding sites
- STE · Stearic acid · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 174 | 0.83 | 0.97 | 27 | STE |
| 2 | 152 | 0.82 | 0.98 | 25 | STE |
| 3 | 56 | 0.44 | 0.83 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1926 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 3CJD · Crystal structure of putative TetR transcriptional regulator (YP_510936.1) from… · the same entry in another collection · chain B against B, 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 Q28N01
- Elsewhere: RCSB PDB 3CJD · PDBe 3CJD · UniProt Q28N01
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