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The crystal structure of the soluble guanylate cyclase pas alpha domain from manduca sexta
Analyse The crystal structure of the soluble guanylate cyclase pas alpha domain from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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