Research workbench
Structure of human soluble guanylate cyclase in the cinciguat-bound inactive state
Analyse Structure of human soluble guanylate cyclase in the cinciguat-bound inactive… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7D9T
- Type
- protein
- Length
- 1,079 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanylate cyclase soluble subunit alpha-1; Guanylate cyclase soluble subunit beta-1
- EC
- 4.6.1.2
- UniProt
- Q02108, Q02153
- Ligands
- Z90
- Pockets
- 19 · best druggability 0.85
Structure
electron microscopy · 2 distinct chains · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanylate cyclase soluble subunit alpha-1 (EC 4.6.1.2) | protein | 512 | 43% helix, 19% strand | Q02108 |
| B | Guanylate cyclase soluble subunit beta-1 (EC 4.6.1.2) | protein | 567 | 41% helix, 21% strand | Q02153 |
Ligands and binding sites
- Z90 · 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl) benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1026 | 0.85 | 0.86 | 112 | empty |
| 2 | 587 | 0.81 | 0.86 | 54 | Z90 |
| 3 | 718 | 0.76 | 0.81 | 59 | empty |
| 4 | 570 | 0.76 | 0.83 | 61 | empty |
| 5 | 236 | 0.75 | 0.89 | 41 | empty |
Interfaces
1 interface between chains.
- A–B · 4233 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 7D9T · Structure of human soluble guanylate cyclase in the cinciguat-bound inactive state · the same entry in another collection · chain A against A, TM-score 1.00
- Q02108 · AlphaFold monomer V2.0 prediction for guanylate cyclase soluble subunit alpha-1 (Q02108) · a predicted model of the same protein · chain A against A, TM-score 0.53
- Q02153 · AlphaFold monomer V2.0 prediction for guanylate cyclase soluble subunit beta-1 (Q02153) · a predicted model of the same protein · chain B against A, TM-score 0.45
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 Q02108
- Every structure of UniProt Q02153
- Elsewhere: RCSB PDB 7D9T · PDBe 7D9T · UniProt Q02108 · UniProt Q02153
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