MolNFT v1 · #91635 · protein
Crystal structure of the protein Q9HRE7 complexed with mercury from halobacterium salinarium at the resolution 2.1A, northeast structural genomics consortium target HSR50
4FJ4 · Uncharacterized protein: “Crystal structure of the protein Q9HRE7 complexed with mercury from halobacterium salinarium at the…”. X-ray diffraction, 2 ligands (EMC, NA), 6 pockets (best druggability 0.50). MolNFT v1 #91635 on…
- 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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