MolNFT v1 · #176483 · protein
Crystal structure of catabolite repressor acivator from E. COLI in complex with hepes
7DOA · Catabolite REPRESSOR/ACTIVATOR: “Crystal structure of catabolite repressor acivator from E. COLI in complex with hepes”. X-ray diffraction, 6 pockets (best druggability 0.79). MolNFT v1 #176483 on GenesisL1: 3D structure, binding…
- 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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