MolNFT v1 · #38487 · protein
Crystal structure of the E.COLI crp-camp complex
2GZW · Catabolite gene activator: “Crystal structure of the E.COLI crp-camp complex”. X-ray diffraction, 1 ligand (CMP), 16 pockets (best druggability 0.76). MolNFT v1 #38487 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2GZW
- Type
- protein
- Length
- 799 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catabolite gene activator
- UniProt
- P0ACJ8
- Ligands
- CMP
- Pockets
- 16 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 39% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Catabolite gene activator | protein | 200 | 38% helix, 29% strand | P0ACJ8 |
| B | Catabolite gene activator | protein | 197 | 39% helix, 25% strand | P0ACJ8 |
| D | Catabolite gene activator | protein | 202 | 39% helix, 28% strand | P0ACJ8 |
Ligands and binding sites
- CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 561 | 0.76 | 0.83 | 63 | CMP |
| 2 | 110 | 0.74 | 0.95 | 24 | CMP |
| 3 | 541 | 0.74 | 0.82 | 59 | CMP |
| 4 | 239 | 0.69 | 0.85 | 36 | CMP |
| 5 | 429 | 0.68 | 0.80 | 41 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1637 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 1633 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 105 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 71 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2GZW · Crystal structure of the E.coli CRP-cAMP complex · the same entry in another collection · chain D against D, 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 0.98
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 2GZW · PDBe 2GZW · UniProt P0ACJ8
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