MolNFT v1 · #109391 · protein
Crystal structure of unliganded E. COLI transcriptional regulator rutr, W167A mutant
4X1E · Hth-type transcriptional regulator rutr: “Crystal structure of unliganded E. COLI transcriptional regulator rutr, W167A mutant”. X-ray diffraction, 4 pockets (best druggability 0.79). MolNFT v1 #109391 on GenesisL1: 3D structure…
- PDB
- 4X1E
- Type
- protein
- Length
- 391 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator rutr
- UniProt
- P0ACU3
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator rutr | protein | 199 | 79% helix, 0% strand | P0ACU3 |
| B | Hth-type transcriptional regulator rutr | protein | 192 | 80% helix, 0% strand | P0ACU3 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 117 | 0.79 | 0.97 | 23 | empty |
| 2 | 301 | 0.57 | 0.76 | 35 | empty |
| 3 | 50 | 0.41 | 0.82 | 14 | empty |
| 4 | 124 | 0.41 | 0.75 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 2625 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 4X1E · Crystal structure of unliganded E. coli transcriptional regulator RutR, W167A mutant · the same entry in another collection · chain A against A, TM-score 1.00
- P0ACU3 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator rutr (P0ACU3) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 P0ACU3
- Elsewhere: RCSB PDB 4X1E · PDBe 4X1E · UniProt P0ACU3
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