MolNFT v1 · #180975 · protein
Crystal structure of soluble guanylate cyclase activator runcaciguat (bay 1101042) bound to nostoc H-nox domain
7LGK · H-nox domain protein: “Crystal structure of soluble guanylate cyclase activator runcaciguat (bay 1101042) bound to nostoc H-nox…”. X-ray diffraction, 2 ligands (XZ7, CL), 3 pockets (best druggability 0.84). MolNFT v1 #180975 on…
- PDB
- 7LGK
- Type
- protein
- Length
- 364 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- H-nox domain protein
- UniProt
- Q8YUQ7
- Ligands
- XZ7, CL
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | H-nox domain protein | protein | 182 | 55% helix, 16% strand | Q8YUQ7 |
Ligands and binding sites
- XZ7 · Runcaciguat · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 492 | 0.84 | 0.90 | 50 | XZ7, CL, GOL |
| 2 | 847 | 0.84 | 0.86 | 102 | XZ7, CL, GOL |
| 3 | 81 | 0.32 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 775 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 7LGK · Crystal structure of soluble guanylate cyclase activator runcaciguat (BAY 1101042) bound… · 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 Q8YUQ7
- Elsewhere: RCSB PDB 7LGK · PDBe 7LGK · UniProt Q8YUQ7
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