Research workbench
Crystal structure of a laci family transcriptional regulator from mycobacterium smegmatis
Analyse Crystal structure of a laci family transcriptional regulator from mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3KKE
- Type
- protein
- Length
- 1,131 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Laci family transcriptional regulator
- UniProt
- A0QPR6
- Pockets
- 12 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Laci family transcriptional regulator | protein | 278 | 41% helix, 18% strand | A0QPR6 |
| B | Laci family transcriptional regulator | protein | 291 | 42% helix, 17% strand | A0QPR6 |
| C | Laci family transcriptional regulator | protein | 285 | 41% helix, 17% strand | A0QPR6 |
| D | Laci family transcriptional regulator | protein | 277 | 41% helix, 18% strand | A0QPR6 |
Ligands and binding sites
- ACT · Acetate ion · additive · 5 copies · chains A, D, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1052 | 0.78 | 0.80 | 91 | empty |
| 2 | 98 | 0.67 | 0.91 | 22 | empty |
| 3 | 100 | 0.67 | 0.91 | 22 | empty |
| 4 | 164 | 0.57 | 0.82 | 24 | empty |
| 5 | 206 | 0.57 | 0.80 | 21 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1594 Ų buried · 21 hydrogen bonds · protein-protein
- A–D · 1424 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 603 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3KKE · Crystal structure of a LacI family transcriptional regulator from Mycobacterium smegmatis · 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 A0QPR6
- Elsewhere: RCSB PDB 3KKE · PDBe 3KKE · UniProt A0QPR6
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