MolNFT v1 · #160108 · protein
Inactive state of manduca sexta soluble guanylate cyclase
6PAS · Soluble guanylyl cyclase alpha-1 subunit: “Inactive state of manduca sexta soluble guanylate cyclase”. Electron microscopy, 1 ligand (HEM), 10 pockets (best druggability 0.71). MolNFT v1 #160108 on GenesisL1: 3D structure, binding…
- PDB
- 6PAS
- Type
- protein
- Length
- 1,135 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Soluble guanylyl cyclase alpha-1 subunit; Soluble guanylyl cyclase beta-1 subunit
- UniProt
- O77105, O77106
- Ligands
- HEM
- Pockets
- 10 · best druggability 0.71
Structure
electron microscopy · 2 distinct chains · 41% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Soluble guanylyl cyclase alpha-1 subunit | protein | 559 | 43% helix, 7% strand | O77105 |
| B | Soluble guanylyl cyclase beta-1 subunit | protein | 576 | 40% helix, 8% strand | O77106 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1130 | 0.71 | 0.76 | 124 | empty |
| 2 | 814 | 0.64 | 0.74 | 113 | empty |
| 3 | 444 | 0.59 | 0.76 | 67 | empty |
| 4 | 596 | 0.59 | 0.73 | 72 | empty |
| 5 | 428 | 0.56 | 0.74 | 59 | empty |
Interfaces
1 interface between chains.
- A–B · 452 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6PAS · Inactive State of Manduca sexta soluble guanylate cyclase · 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
- Every structure of UniProt O77106
- Elsewhere: RCSB PDB 6PAS · PDBe 6PAS · UniProt O77105 · UniProt O77106
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