Research workbench
Crystal structure of icar, a repressor of the tetr family
Analyse Crystal structure of icar, a repressor of the tetr family in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ZCN
- Type
- protein
- Length
- 727 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Biofilm operon icaabcd hth-type negative transcriptional regulator icar
- UniProt
- Q5HKQ1
- Pockets
- 9 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 78% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Biofilm operon icaabcd hth-type negative transcriptional regulator icar | protein | 181 | 81% helix, 0% strand | Q5HKQ1 |
| B | Biofilm operon icaabcd hth-type negative transcriptional regulator icar | protein | 181 | 78% helix, 1% strand | Q5HKQ1 |
| D | Biofilm operon icaabcd hth-type negative transcriptional regulator icar | protein | 184 | 76% helix, 1% strand | Q5HKQ1 |
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 355 | 0.70 | 0.82 | 30 | empty |
| 2 | 318 | 0.69 | 0.82 | 31 | empty |
| 3 | 84 | 0.68 | 0.93 | 27 | empty |
| 4 | 322 | 0.68 | 0.82 | 29 | empty |
| 5 | 304 | 0.67 | 0.82 | 28 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1842 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 1838 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 310 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2ZCN · Crystal structure of IcaR, a repressor of the TetR family · the same entry in another collection · chain A against A, TM-score 1.00
- Q5HKQ1 · AlphaFold monomer V2.0 prediction for biofilm operon icaadbc hth-type negative… · a predicted model of the same protein · chain B against A, TM-score 0.94
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 Q5HKQ1
- Elsewhere: RCSB PDB 2ZCN · PDBe 2ZCN · UniProt Q5HKQ1
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