MolNFT v1 · #106462 · protein
Lac repressor engineered to bind sucralose, sucralose-bound tetramer
4RZT: “Lac repressor engineered to bind sucralose, sucralose-bound tetramer”. X-ray diffraction, 2 ligands (RRY, RRJ), 15 pockets (best druggability 0.81). MolNFT v1 #106462 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4RZT
- Type
- protein
- Length
- 1,192 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lac repressor
- UniProt
- C9QQT3
- Ligands
- RRY, RRJ
- Pockets
- 15 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Lac repressor | protein | 301 | 46% helix, 17% strand | C9QQT3 |
| B, D | Lac repressor | protein | 295 | 46% helix, 18% strand | C9QQT3 |
Ligands and binding sites
- RRY · 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose · ligand · 4 copies · chains A, B, C, D
- RRJ · 4-chloro-4-deoxy-alpha-D-galactopyranose · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 121 | 0.81 | 0.98 | 29 | empty |
| 2 | 313 | 0.79 | 0.89 | 47 | RRY, RRJ |
| 3 | 119 | 0.78 | 0.97 | 23 | empty |
| 4 | 307 | 0.78 | 0.89 | 42 | RRY, RRJ |
| 5 | 298 | 0.78 | 0.89 | 43 | RRY, RRJ |
Interfaces
6 interfaces between chains.
- A–B · 2244 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 2205 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 787 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 455 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 93 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4RZT · Lac repressor engineered to bind sucralose, sucralose-bound tetramer · 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 C9QQT3
- Elsewhere: RCSB PDB 4RZT · PDBe 4RZT · UniProt C9QQT3
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