MolNFT v1 · #105956 · protein
Crystal structure of laci family transcriptional regulator from arthrobacter sp. FB24, target efi-560007, complex with lactose
4RKR · Transcriptional regulator, laci family: “Crystal structure of laci family transcriptional regulator from arthrobacter sp. FB24, target efi-560007…”. X-ray diffraction, 2 ligands (GLC, GAL), 9 pockets (best druggability 0.70). MolNFT…
- PDB
- 4RKR
- Type
- protein
- Length
- 1,082 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, laci family
- UniProt
- A0K1X3
- Ligands
- GLC, GAL
- Pockets
- 9 · best druggability 0.70
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, laci family | protein | 274 | 41% helix, 21% strand | A0K1X3 |
| B | Transcriptional regulator, laci family | protein | 267 | 42% helix, 22% strand | A0K1X3 |
| C | Transcriptional regulator, laci family | protein | 268 | 41% helix, 22% strand | A0K1X3 |
| D | Transcriptional regulator, laci family | protein | 273 | 41% helix, 21% strand | A0K1X3 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B, C, D
- GAL · beta-D-galactopyranose · sugar · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 767 | 0.70 | 0.76 | 74 | empty |
| 2 | 493 | 0.66 | 0.78 | 57 | empty |
| 3 | 451 | 0.65 | 0.78 | 58 | empty |
| 4 | 225 | 0.54 | 0.77 | 29 | GLC, GAL |
| 5 | 232 | 0.53 | 0.76 | 27 | GLC, GAL |
Interfaces
3 interfaces between chains.
- A–B · 1423 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 1403 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 520 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 4RKR · Crystal structure of LacI family transcriptional regulator from Arthrobacter sp. FB24… · 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 A0K1X3
- Elsewhere: RCSB PDB 4RKR · PDBe 4RKR · UniProt A0K1X3
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