MolNFT v1 · #60608 · protein
Crystal structure of transcriptional regulator of tetr family (YP_425770.1) from rhodospirillum rubrum atcc 11170 at 1.50 a resolution
3CWR · Transcriptional regulator, tetr family: “Crystal structure of transcriptional regulator of tetr family (YP_425770.1) from rhodospirillum rubrum atcc…”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.76). MolNFT v1…
- PDB
- 3CWR
- Type
- protein
- Length
- 383 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, tetr family
- UniProt
- Q2RWL2
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 74% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, tetr family | protein | 193 | 74% helix, 1% strand | Q2RWL2 |
| B | Transcriptional regulator, tetr family | protein | 190 | 74% helix, 1% strand | Q2RWL2 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1076 | 0.76 | 0.78 | 93 | SO4 |
| 2 | 151 | 0.56 | 0.81 | 22 | empty |
| 3 | 137 | 0.54 | 0.80 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 418 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 3CWR · Crystal structure of transcriptional regulator of TetR family (YP_425770.1) from… · 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 Q2RWL2
- Elsewhere: RCSB PDB 3CWR · PDBe 3CWR · UniProt Q2RWL2
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