MolNFT v1 · #39562 · protein
Structure of the ligand binding domain of E. COLI cynr, a transcriptional regulator controlling cyanate metabolism
2HXR · Hth-type transcriptional regulator cynr: “Structure of the ligand binding domain of E. COLI cynr, a transcriptional regulator controlling cyanate…”. X-ray diffraction, 2 pockets (best druggability 0.65). MolNFT v1 #39562 on…
- PDB
- 2HXR
- Type
- protein
- Length
- 402 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator cynr
- UniProt
- P27111
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator cynr | protein | 200 | 38% helix, 32% strand | P27111 |
| B | Hth-type transcriptional regulator cynr | protein | 202 | 35% helix, 33% strand | P27111 |
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 484 | 0.65 | 0.77 | 56 | empty |
| 2 | 173 | 0.62 | 0.84 | 33 | empty |
Interfaces
1 interface between chains.
- A–B · 1329 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 2HXR · Structure of the ligand binding domain of E. coli CynR, a transcriptional regulator… · the same entry in another collection · chain A against A, TM-score 1.00
- P27111 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator cynr (P27111) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P27111
- Elsewhere: RCSB PDB 2HXR · PDBe 2HXR · UniProt P27111
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