MolNFT v2 · #33321 · protein + DNA
Catabolite gene activator PROTEIN/DNA complex, adenosine-3',5'-cyclic-monophosphate
2CGP · DNA (5'-D(*GP*TP*CP*AP*CP*AP*TP*TP*AP*AP*T)-3'): “Catabolite gene activator PROTEIN/DNA complex, adenosine-3',5'-cyclic-monophosphate”. X-ray diffraction at 2.2, 1 ligand (CMP), 4 pockets (best druggability 0.59). MolNFT v2 #33321…
- PDB
- 2CGP
- Type
- protein + DNA
- Length
- 226 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.2
- Source
- Escherichia coli; SYNTHETIC CONSTRUCT
- Molecule
- DNA (5'-D(*GP*TP*CP*AP*CP*AP*TP*TP*AP*AP*T)-3'); DNA…
- UniProt
- P0ACJ8
- Ligands
- CMP
- Pockets
- 4 · best druggability 0.59
Structure
x-ray diffraction · resolution 2.2 · 3 distinct chains · 40% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | DNA (5'-D(*GP*TP*CP*AP*CP*AP*TP*TP*AP*AP*T)-3') | dna | 11 | — | — |
| C | DNA (5'-D(*AP*TP*TP*AP*AP*TP*GP*TP*GP*AP*CP*AP*TP*AP*T)-3') | dna | 15 | — | — |
| A | Protein (catabolite gene activator protein) | protein | 200 | 40% helix, 30% strand | P0ACJ8 |
Ligands and binding sites
- CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 174 | 0.59 | 0.82 | 30 | CMP |
| 2 | 231 | 0.58 | 0.79 | 19 | empty |
| 3 | 267 | 0.54 | 0.76 | 32 | empty |
| 4 | 187 | 0.43 | 0.74 | 23 | CMP |
Interfaces
3 interfaces between chains.
- B–C · 509 Ų buried · 37 hydrogen bonds · nucleic-nucleic
- C–A · 394 Ų buried · 8 hydrogen bonds · protein-nucleic
- B–A · 273 Ų buried · 4 hydrogen bonds · protein-nucleic
Compared structures
- 2CGP · Catabolite gene activator PROTEIN/DNA complex, adenosine-3', 5'-cyclic-monophosphate · the same entry in another collection · chain A against A, TM-score 1.00
- P0ACJ8 · AlphaFold monomer V2.0 prediction for camp-activated global transcriptional regulator crp… · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P0ACJ8
- Elsewhere: RCSB PDB 2CGP · PDBe 2CGP · UniProt P0ACJ8
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