MolNFT v1 · #106461 · protein
Lac repressor engineered to bind sucralose, unliganded tetramer
4RZS: “Lac repressor engineered to bind sucralose, unliganded tetramer”. X-ray diffraction, 8 pockets (best druggability 0.82). MolNFT v1 #106461 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4RZS
- Type
- protein
- Length
- 1,296 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lac repressor
- UniProt
- C9QQT3
- Pockets
- 8 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lac repressor | protein | 347 | 46% helix, 16% strand | C9QQT3 |
| B | Lac repressor | protein | 355 | 43% helix, 15% strand | C9QQT3 |
| C | Lac repressor | protein | 298 | 44% helix, 18% strand | C9QQT3 |
| D | Lac repressor | protein | 296 | 45% helix, 18% strand | C9QQT3 |
Ligands and binding sites
- GOL · Glycerol · additive · 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 | 1078 | 0.82 | 0.83 | 124 | GOL |
| 2 | 1125 | 0.81 | 0.82 | 117 | GOL |
| 3 | 1125 | 0.79 | 0.80 | 101 | empty |
| 4 | 723 | 0.73 | 0.79 | 76 | empty |
| 5 | 300 | 0.57 | 0.77 | 36 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2243 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 2000 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 751 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 694 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 528 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4RZS · Lac repressor engineered to bind sucralose, unliganded 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 4RZS · PDBe 4RZS · UniProt C9QQT3
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