MolNFT v1 · #105955 · protein
Crystal structure of laci family transcriptional regulator from arthrobacter sp. FB24, target efi-560007
4RKQ · Transcriptional regulator, laci family: “Crystal structure of laci family transcriptional regulator from arthrobacter sp. FB24, target efi-560007”. X-ray diffraction, 2 ligands (MG, CL), 10 pockets (best druggability 0.70). MolNFT…
- PDB
- 4RKQ
- Type
- protein
- Length
- 1,091 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, laci family
- UniProt
- A0K1X3
- Ligands
- MG, CL
- Pockets
- 10 · 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 | 282 | 39% helix, 21% strand | A0K1X3 |
| B | Transcriptional regulator, laci family | protein | 269 | 42% helix, 22% strand | A0K1X3 |
| C | Transcriptional regulator, laci family | protein | 267 | 42% helix, 22% strand | A0K1X3 |
| D | Transcriptional regulator, laci family | protein | 273 | 42% helix, 21% strand | A0K1X3 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 738 | 0.70 | 0.77 | 72 | empty |
| 2 | 482 | 0.66 | 0.78 | 66 | empty |
| 3 | 466 | 0.65 | 0.78 | 66 | empty |
| 4 | 248 | 0.57 | 0.78 | 31 | EDO |
| 5 | 221 | 0.54 | 0.78 | 26 | EDO |
Interfaces
4 interfaces between chains.
- C–D · 1426 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 1423 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 523 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 10 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4RKQ · 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 4RKQ · PDBe 4RKQ · UniProt A0K1X3
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