Research workbench
Crystal structure of the protein Q9HRE7 complexed with mercury from halobacterium salinarium at the resolution 2.1A, northeast structural genomics consortium target HSR50
Analyse Crystal structure of the protein Q9HRE7 complexed with mercury from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FJ4
- Type
- protein
- Length
- 356 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q9HRE7
- Ligands
- EMC, NA
- Pockets
- 6 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 176 | 24% helix, 36% strand | Q9HRE7 |
| B | Uncharacterized protein | protein | 180 | 23% helix, 35% strand | Q9HRE7 |
Ligands and binding sites
- EMC · Ethyl mercury ion · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 169 | 0.50 | 0.77 | 21 | empty |
| 2 | 144 | 0.39 | 0.73 | 23 | empty |
| 3 | 98 | 0.37 | 0.74 | 20 | EMC, NA |
| 4 | 91 | 0.36 | 0.74 | 22 | EMC, NA |
| 5 | 53 | 0.31 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 197 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4FJ4 · Crystal structure of the protein Q9HRE7 complexed with mercury from Halobacterium… · 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 Q9HRE7
- Elsewhere: RCSB PDB 4FJ4 · PDBe 4FJ4 · UniProt Q9HRE7
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