MolNFT v1 · #50182 · protein
Crystal structure of a putative TETR/ACRR family transcriptional regulator (SARO_0558) from novosphingobium aromaticivorans dsm at 1.80 a resolution
2RAS · Transcriptional regulator, tetr family: “Crystal structure of a putative TETR/ACRR family transcriptional regulator (SARO_0558) from novosphingobium…”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.69). MolNFT v1…
- PDB
- 2RAS
- Type
- protein
- Length
- 404 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, tetr family
- UniProt
- Q2GAW8
- Ligands
- CL
- Pockets
- 3 · best druggability 0.69
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 | 200 | 77% helix, 0% strand | Q2GAW8 |
| B | Transcriptional regulator, tetr family | protein | 204 | 77% helix, 0% strand | Q2GAW8 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 14 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 | 281 | 0.69 | 0.84 | 34 | CL |
| 2 | 270 | 0.68 | 0.84 | 34 | CL, EDO |
| 3 | 57 | 0.30 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1747 Ų buried · 35 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
- 2RAS · Crystal structure of a putative tetr/acrr family transcriptional regulator (saro_0558)… · 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 Q2GAW8
- Elsewhere: RCSB PDB 2RAS · PDBe 2RAS · UniProt Q2GAW8
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