MolNFT v1 · #65242 · protein
Crystal structure of arac family transcriptional regulator from pseudomonas putida
3GRA · Transcriptional regulator, arac family: “Crystal structure of arac family transcriptional regulator from pseudomonas putida”. X-ray diffraction, 2 ligands (MG, SO4), 2 pockets (best druggability 0.66). MolNFT v1 #65242 on GenesisL1…
- PDB
- 3GRA
- Type
- protein
- Length
- 345 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, arac family
- UniProt
- Q88H39
- Ligands
- MG, SO4
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, arac family | protein | 185 | 41% helix, 26% strand | Q88H39 |
| B | Transcriptional regulator, arac family | protein | 160 | 36% helix, 26% strand | Q88H39 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 561 | 0.66 | 0.77 | 52 | empty |
| 2 | 62 | 0.43 | 0.82 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 685 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 3GRA · Crystal structure of AraC family transcriptional regulator from Pseudomonas putida · 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 Q88H39
- Elsewhere: RCSB PDB 3GRA · PDBe 3GRA · UniProt Q88H39
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