MolNFT v1 · #178829 · protein
Sheep connexin-46 at 2.5 ångströms resolution, lipid class 2
7JN0 · Gap junction alpha-3 protein: “Sheep connexin-46 at 2.5 ångströms resolution, lipid class 2”. Electron microscopy, 1 ligand (MC3), 20 pockets (best druggability 0.61). MolNFT v1 #178829 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7JN0
- Type
- protein
- Length
- 2,328 residues
- Chains
- 12
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gap junction alpha-3 protein
- UniProt
- Q9TU17
- Ligands
- MC3
- Pockets
- 20 · best druggability 0.61
Structure
electron microscopy · 1 distinct chain · 71% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Gap junction alpha-3 protein | protein | 194 | 71% helix, 5% strand | Q9TU17 |
Ligands and binding sites
- MC3 · 1,2-dimyristoyl-rac-glycero-3-phosphocholine · ligand · 168 copies · chains A, F, B, C, D, E, G, L, H, I, J, K
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 337 | 0.61 | 0.77 | 33 | empty |
| 2 | 344 | 0.59 | 0.76 | 32 | empty |
| 3 | 335 | 0.59 | 0.76 | 30 | empty |
| 4 | 156 | 0.59 | 0.83 | 23 | empty |
| 5 | 142 | 0.59 | 0.84 | 24 | empty |
Interfaces
24 interfaces between chains.
- E–F · 1416 Ų buried · 17 hydrogen bonds · protein-protein
- K–L · 1415 Ų buried · 17 hydrogen bonds · protein-protein
- A–F · 1413 Ų buried · 17 hydrogen bonds · protein-protein
- D–E · 1413 Ų buried · 17 hydrogen bonds · protein-protein
- J–K · 1413 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide (disulfide).
Compared structures
- 7JN0 · Sheep Connexin-46 at 2.5 angstroms resolution, Lipid Class 2 · the same entry in another collection · chain L against L, 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 Q9TU17
- Elsewhere: RCSB PDB 7JN0 · PDBe 7JN0 · UniProt Q9TU17
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