MolNFT v1 · #94551 · protein
Structure of the mutant catabolite gene activator protein V140A
4I02: “Structure of the mutant catabolite gene activator protein V140A”. X-ray diffraction, 1 ligand (CMP), 16 pockets (best druggability 0.77). MolNFT v1 #94551 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4I02
- Type
- protein
- Length
- 1,220 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catabolite gene activator
- UniProt
- P0ACJ8
- Ligands
- CMP
- Pockets
- 16 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 38% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Catabolite gene activator | protein | 204 | 38% helix, 28% strand | P0ACJ8 |
| B | Catabolite gene activator | protein | 206 | 38% helix, 29% strand | P0ACJ8 |
| C, E, F | Catabolite gene activator | protein | 201 | 39% helix, 30% strand | P0ACJ8 |
| D | Catabolite gene activator | protein | 207 | 38% helix, 28% strand | P0ACJ8 |
Ligands and binding sites
- CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 9 copies · chains A, E, B, C, D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 434 | 0.77 | 0.86 | 52 | CMP |
| 2 | 361 | 0.76 | 0.86 | 46 | CMP |
| 3 | 663 | 0.74 | 0.80 | 73 | CMP |
| 4 | 395 | 0.73 | 0.83 | 46 | CMP |
| 5 | 624 | 0.71 | 0.79 | 64 | CMP |
Interfaces
7 interfaces between chains.
- A–E · 1583 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 1061 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 264 Ų buried · 5 hydrogen bonds · protein-protein
- E–F · 243 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 236 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4I02 · structure of the mutant Catabolite gene activator protein V140A · the same entry in another collection · chain F against F, 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 4I02 · PDBe 4I02 · UniProt P0ACJ8
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