Research workbench
Crystal structure of transcription regulation protein crp complexed with cgmp
Analyse Crystal structure of transcription regulation protein crp complexed with cgmp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4N9I
- Type
- protein
- Length
- 808 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catabolite gene activator
- UniProt
- C3SQJ7
- Ligands
- PCG
- Pockets
- 8 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Catabolite gene activator | protein | 202 | 40% helix, 31% strand | C3SQJ7 |
Ligands and binding sites
- PCG · Cyclic guanosine monophosphate · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 579 | 0.77 | 0.83 | 65 | PCG |
| 2 | 804 | 0.75 | 0.80 | 75 | PCG |
| 3 | 622 | 0.75 | 0.82 | 64 | PCG |
| 4 | 275 | 0.73 | 0.87 | 48 | PCG |
| 5 | 205 | 0.53 | 0.77 | 25 | empty |
Interfaces
4 interfaces between chains.
- A–B · 2319 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 2225 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 276 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 16 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4N9I · Crystal Structure of Transcription regulation protein CRP complexed with cGMP · 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 C3SQJ7
- Elsewhere: RCSB PDB 4N9I · PDBe 4N9I · UniProt C3SQJ7
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