Research workbench
Crystal structure of dual function transcriptional regulator merr form bacillus megaterium MB1 in complex with mercury (II) ion
Analyse Crystal structure of dual function transcriptional regulator merr form bacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4UA1
- Type
- protein
- Length
- 249 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Regulatory protein
- UniProt
- Q799U3
- Ligands
- HG
- Pockets
- 4 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 63% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Regulatory protein | protein | 124 | 65% helix, 0% strand | Q799U3 |
| B | Regulatory protein | protein | 125 | 62% helix, 2% strand | Q799U3 |
Ligands and binding sites
- HG · Mercury (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 89 | 0.60 | 0.88 | 23 | empty |
| 2 | 107 | 0.58 | 0.85 | 25 | empty |
| 3 | 107 | 0.41 | 0.76 | 19 | empty |
| 4 | 51 | 0.33 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 2239 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 4UA1 · Crystal structure of dual function transcriptional regulator MerR form Bacillus… · 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 Q799U3
- Elsewhere: RCSB PDB 4UA1 · PDBe 4UA1 · UniProt Q799U3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.