MolNFT v1 · #144374 · protein
Rhcc with unreduced and reduced mercury complexes
6BRI · Right handed coiled coil: “Rhcc with unreduced and reduced mercury complexes”. X-ray diffraction, 7 ligands (HGN, HGI, K), 4 pockets (best druggability 0.81). MolNFT v1 #144374 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6BRI
- Type
- protein
- Length
- 200 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Right handed coiled coil
- UniProt
- A3DN96
- Ligands
- HGN, HGI, K, HG, NA, IOD, SO4
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 88% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Right handed coiled coil | protein | 51 | 90% helix, 0% strand | A3DN96 |
| B, C | Right handed coiled coil | protein | 49 | 86% helix, 0% strand | A3DN96 |
Ligands and binding sites
- HGN · mercuriomercury · ligand · 2 copies · chains A, B, C, D
- HGI · Mercury (II) iodide · ligand · chains B, C, D
- K · Potassium ion · metal · 6 copies · chains B, C
- HG · Mercury (II) ion · metal · 3 copies · chains A, D, B
- NA · Sodium ion · metal · 2 copies · chains A
- IOD · Iodide ion · ion · 13 copies · chains A, D, B, C
- SO4 · Sulfate ion · ion · chains B
- GOL · Glycerol · additive · 2 copies · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 258 | 0.81 | 0.93 | 36 | HGI |
| 2 | 99 | 0.79 | 0.98 | 18 | HGN |
| 3 | 121 | 0.77 | 0.95 | 20 | HGN |
| 4 | 208 | 0.57 | 0.80 | 26 | HG, IOD |
Interfaces
6 interfaces between chains.
- C–D · 1080 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 973 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 921 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 862 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 88 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6BRI · RHCC with unreduced and reduced Mercury complexes · 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 A3DN96
- Elsewhere: RCSB PDB 6BRI · PDBe 6BRI · UniProt A3DN96
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