MolNFT v1 · #171331 · protein
Structure of K52-acetylated rutr in complex with uracil.
6Z1B · Hth-type transcriptional regulator rutr: “Structure of K52-acetylated rutr in complex with uracil.”. X-ray diffraction, 1 ligand (URA), 3 pockets (best druggability 0.50). MolNFT v1 #171331 on GenesisL1: 3D structure, binding sites…
- PDB
- 6Z1B
- Type
- protein
- Length
- 403 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator rutr
- UniProt
- P0ACU2
- Ligands
- URA
- Pockets
- 3 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator rutr | protein | 201 | 79% helix, 0% strand | P0ACU2 |
| B | Hth-type transcriptional regulator rutr | protein | 202 | 79% helix, 0% strand | P0ACU2 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 238 | 0.50 | 0.75 | 33 | EDO |
| 2 | 68 | 0.38 | 0.78 | 13 | empty |
| 3 | 56 | 0.38 | 0.80 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2241 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (acetylation).
Compared structures
- 6Z1B · Structure of K52-acetylated RutR in complex with uracil. · the same entry in another collection · chain A against A, TM-score 1.00
- P0ACU2 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator rutr (P0ACU2) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P0ACU2
- Elsewhere: RCSB PDB 6Z1B · PDBe 6Z1B · UniProt P0ACU2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.