Research workbench
Structure of CONNEXIN43/CX43/GJA1 gap junction intercellular channel in LMNG/CHS detergents at pH ~8.0
Analyse Structure of CONNEXIN43/CX43/GJA1 gap junction intercellular channel in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7F92
- Type
- protein
- Length
- 2,352 residues
- Chains
- 12
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gap junction alpha-1 protein
- UniProt
- P17302
- Ligands
- C14
- Pockets
- 20 · best druggability 0.75
Structure
electron microscopy · 1 distinct chain · 62% 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-1 protein | protein | 196 | 62% helix, 5% strand | P17302 |
Ligands and binding sites
- C14 · Tetradecane · ligand · 132 copies · chains A, B, F, C, D, E, G, H, L, 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 | 764 | 0.75 | 0.79 | 66 | C14 |
| 2 | 558 | 0.71 | 0.79 | 58 | C14 |
| 3 | 591 | 0.71 | 0.79 | 63 | C14 |
| 4 | 503 | 0.71 | 0.80 | 54 | C14 |
| 5 | 488 | 0.71 | 0.80 | 49 | C14 |
Interfaces
24 interfaces between chains.
- K–L · 1410 Ų buried · 11 hydrogen bonds · protein-protein
- G–L · 1410 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1410 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 1409 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 1409 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide (disulfide).
Compared structures
- 7F92 · Structure of connexin43/Cx43/GJA1 gap junction intercellular channel in LMNG/CHS… · 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 P17302
- Elsewhere: RCSB PDB 7F92 · PDBe 7F92 · UniProt P17302
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