MolNFT v1 · #69348 · protein
Crystal structure of a putative transcriptional regulator (TETR/ACRR family member) from putative transcriptional regulator (TETR/ACRR family)
3KNW: “Crystal structure of a putative transcriptional regulator (TETR/ACRR family member) from putative…”. X-ray diffraction, 5 pockets (best druggability 0.73). MolNFT v1 #69348 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3KNW
- Type
- protein
- Length
- 359 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative transcriptional regulator (TETR/ACRR family)
- UniProt
- Q6F8X8
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative transcriptional regulator (TETR/ACRR family) | protein | 182 | 81% helix, 0% strand | Q6F8X8 |
| B | Putative transcriptional regulator (TETR/ACRR family) | protein | 177 | 72% helix, 0% strand | Q6F8X8 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · chains B
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 | 89 | 0.73 | 0.95 | 16 | EDO |
| 2 | 324 | 0.68 | 0.82 | 41 | empty |
| 3 | 141 | 0.54 | 0.81 | 18 | empty |
| 4 | 159 | 0.50 | 0.78 | 22 | empty |
| 5 | 149 | 0.43 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1591 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3KNW · Crystal structure of a putative transcriptional regulator (TetR/AcrR family member) from… · 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 Q6F8X8
- Elsewhere: RCSB PDB 3KNW · PDBe 3KNW · UniProt Q6F8X8
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