MolNFT v1 · #185788 · protein
Human connexin 26 dodecamer at 90MMHG PCO2, PH7.4
7QEQ · Gap junction beta-2 protein: “Human connexin 26 dodecamer at 90MMHG PCO2, PH7.4”. Electron microscopy, 1 ligand (PTY), 20 pockets (best druggability 0.79). MolNFT v1 #185788 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7QEQ
- Type
- protein
- Length
- 2,268 residues
- Chains
- 12
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gap junction beta-2 protein
- UniProt
- P29033
- Ligands
- PTY
- Pockets
- 20 · best druggability 0.79
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 beta-2 protein | protein | 189 | 71% helix, 5% strand | P29033 |
Ligands and binding sites
- PTY · Phosphatidylethanolamine · ligand · 12 copies · chains A, F, B, C, D, E, G, L, H, I, J, K
- LMT · Dodecyl-beta-D-maltoside · additive · 48 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 721 | 0.79 | 0.83 | 67 | empty |
| 2 | 858 | 0.78 | 0.81 | 73 | empty |
| 3 | 686 | 0.78 | 0.82 | 65 | empty |
| 4 | 887 | 0.78 | 0.80 | 77 | empty |
| 5 | 856 | 0.77 | 0.80 | 75 | empty |
Interfaces
24 interfaces between chains.
- B–C · 1517 Ų buried · 23 hydrogen bonds · protein-protein
- I–J · 1499 Ų buried · 22 hydrogen bonds · protein-protein
- A–F · 1497 Ų buried · 20 hydrogen bonds · protein-protein
- G–L · 1497 Ų buried · 23 hydrogen bonds · protein-protein
- H–I · 1494 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide (disulfide).
Compared structures
- 7QEQ · human Connexin 26 dodecamer at 90mmHg PCO2, pH7.4 · 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 P29033
- Elsewhere: RCSB PDB 7QEQ · PDBe 7QEQ · UniProt P29033
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