MolNFT v1 · #92784 · protein
The crystal structure of the soluble guanylate cyclase pas alpha domain from manduca sexta
4GJ4 · Soluble guanylyl cyclase alpha-1 subunit: “The crystal structure of the soluble guanylate cyclase pas alpha domain from manduca sexta”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.69). MolNFT v1 #92784 on…
- PDB
- 4GJ4
- Type
- protein
- Length
- 455 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Soluble guanylyl cyclase alpha-1 subunit
- EC
- 4.6.1.2
- UniProt
- O77105
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 28% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Soluble guanylyl cyclase alpha-1 subunit (EC 4.6.1.2) | protein | 113 | 28% helix, 35% strand | O77105 |
| B | Soluble guanylyl cyclase alpha-1 subunit (EC 4.6.1.2) | protein | 112 | 25% helix, 34% strand | O77105 |
| D | Soluble guanylyl cyclase alpha-1 subunit (EC 4.6.1.2) | protein | 117 | 30% helix, 33% strand | O77105 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 11 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 651 | 0.69 | 0.77 | 64 | SO4 |
| 2 | 136 | 0.60 | 0.84 | 23 | empty |
Interfaces
4 interfaces between chains.
- A–D · 754 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 572 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 535 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 332 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4GJ4 · The Crystal Structure of the soluble Guanylate Cyclase PAS alpha domain from Manduca sexta · 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 O77105
- Elsewhere: RCSB PDB 4GJ4 · PDBe 4GJ4 · UniProt O77105
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