MolNFT v1 · #142444 · protein
Acrr from mycobacterium tuberculosis
6A4L · Tetr family transcriptional regulator: “Acrr from mycobacterium tuberculosis”. X-ray diffraction, 2 ligands (NA, SO4), 5 pockets (best druggability 0.85). MolNFT v1 #142444 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6A4L
- Type
- protein
- Length
- 394 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tetr family transcriptional regulator
- UniProt
- A0A045J2D2
- Ligands
- NA, SO4
- Pockets
- 5 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tetr family transcriptional regulator | protein | 196 | 72% helix, 0% strand | A0A045J2D2 |
| B | Tetr family transcriptional regulator | protein | 198 | 71% helix, 0% strand | A0A045J2D2 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 241 | 0.85 | 0.96 | 32 | SO4 |
| 2 | 228 | 0.84 | 0.96 | 36 | SO4 |
| 3 | 771 | 0.69 | 0.76 | 65 | SO4 |
| 4 | 112 | 0.50 | 0.81 | 21 | empty |
| 5 | 101 | 0.48 | 0.80 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1737 Ų buried · 30 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 6A4L · AcrR from Mycobacterium tuberculosis · 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 A0A045J2D2
- Elsewhere: RCSB PDB 6A4L · PDBe 6A4L · UniProt A0A045J2D2
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