Research workbench
Crystal structure of catabolite repressor acivator from E. COLI in complex with hepes
Analyse Crystal structure of catabolite repressor acivator from E. COLI in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7DOA
- Type
- protein
- Length
- 548 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catabolite REPRESSOR/ACTIVATOR
- UniProt
- A0A454A0X5
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Catabolite REPRESSOR/ACTIVATOR | protein | 274 | 41% helix, 23% strand | A0A454A0X5 |
Ligands and binding sites
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 3 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 244 | 0.79 | 0.91 | 26 | EPE |
| 2 | 875 | 0.74 | 0.78 | 104 | EPE |
| 3 | 99 | 0.52 | 0.83 | 21 | empty |
| 4 | 80 | 0.45 | 0.82 | 17 | empty |
| 5 | 82 | 0.45 | 0.81 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1750 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 7DOA · Crystal structure of Catabolite repressor acivator from E. coli in complex with HEPES · 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 A0A454A0X5
- Elsewhere: RCSB PDB 7DOA · PDBe 7DOA · UniProt A0A454A0X5
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