MolNFT v1 · #185795 · protein
Human connexin 26 class 1 hexamer at 90MMHG PCO2, PH7.4
7QEY · Gap junction beta-2 protein: “Human connexin 26 class 1 hexamer at 90MMHG PCO2, PH7.4”. Electron microscopy, 1 ligand (PTY), 18 pockets (best druggability 0.75). MolNFT v1 #185795 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7QEY
- Type
- protein
- Length
- 1,092 residues
- Chains
- 6
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gap junction beta-2 protein
- Ligands
- PTY
- Pockets
- 18 · best druggability 0.75
Structure
electron microscopy · 1 distinct chain · 67% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| G, H, I, J, K, L | Gap junction beta-2 protein | protein | 182 | 67% helix, 5% strand | — |
Ligands and binding sites
- PTY · Phosphatidylethanolamine · ligand · 6 copies · chains G, L, H, I, J, K
- LMT · Dodecyl-beta-D-maltoside · additive · 24 copies · chains G, H, I, J, K, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 680 | 0.75 | 0.80 | 69 | LMT |
| 2 | 644 | 0.75 | 0.81 | 61 | LMT |
| 3 | 658 | 0.74 | 0.80 | 72 | LMT |
| 4 | 692 | 0.74 | 0.80 | 65 | LMT |
| 5 | 632 | 0.73 | 0.80 | 64 | LMT |
Interfaces
6 interfaces between chains.
- I–J · 1340 Ų buried · 18 hydrogen bonds · protein-protein
- K–L · 1338 Ų buried · 20 hydrogen bonds · protein-protein
- J–K · 1336 Ų buried · 20 hydrogen bonds · protein-protein
- G–L · 1335 Ų buried · 22 hydrogen bonds · protein-protein
- H–I · 1335 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide (disulfide).
Compared structures
- 7QEY · human Connexin 26 class 1 hexamer at 90mmHg PCO2, pH7.4 · the same entry in another collection · chain G against G, 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
- Elsewhere: RCSB PDB 7QEY · PDBe 7QEY
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