MolNFT v1 · #78097 · protein
Domain-domain flexibility leads to allostery within the camp receptor protein (crp)
3RYP · Catabolite gene activator: “Domain-domain flexibility leads to allostery within the camp receptor protein (crp)”. X-ray diffraction, 1 ligand (CMP), 6 pockets (best druggability 0.75). MolNFT v1 #78097 on GenesisL1: 3D structure…
- PDB
- 3RYP
- Type
- protein
- Length
- 404 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catabolite gene activator
- UniProt
- P0ACJ8
- Ligands
- CMP
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Catabolite gene activator | protein | 202 | 38% helix, 31% strand | P0ACJ8 |
| B | Catabolite gene activator | protein | 202 | 39% helix, 29% strand | P0ACJ8 |
Ligands and binding sites
- CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A
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 | 461 | 0.75 | 0.84 | 59 | CMP, GOL |
| 2 | 134 | 0.72 | 0.92 | 26 | CMP |
| 3 | 247 | 0.59 | 0.79 | 29 | empty |
| 4 | 117 | 0.38 | 0.74 | 20 | empty |
| 5 | 82 | 0.37 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1675 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3RYP · Domain-domain flexibility leads to allostery within the camp receptor protein (CRP) · 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 0.98
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 3RYP · PDBe 3RYP · UniProt P0ACJ8
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