Research workbench
The complex of phosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP/Mg and Lumacaftor (VX-809)
Analyse The complex of phosphorylated human cystic fibrosis transmembrane conductance… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7SVD
- Type
- protein
- Length
- 1,190 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.7
- Source
- Homo sapiens
- Molecule
- Cystic fibrosis transmembrane conductance regulator
- EC
- 5.6.1.6
- UniProt
- P13569
- Ligands
- CLR, ATP, D10, D12, VX8, MG, UNX
- Pockets
- 20 · best druggability 0.89
Structure
electron microscopy · resolution 2.7 · 2 distinct chains · 60% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cystic fibrosis transmembrane conductance regulator (EC 5.6.1.6) | protein | 1173 | 60% helix, 10% strand | P13569 |
| B | Cystic fibrosis transmembrane conductance regulator | protein | 17 | 47% helix, 0% strand | — |
Ligands and binding sites
- CLR · Cholesterol · ligand · 3 copies · chains A
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A
- D10 · Decane · ligand · 2 copies · chains A
- D12 · Dodecane · ligand · chains A
- VX8 · Lumacaftor · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- UNX · Unknown atom or ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1025 | 0.89 | 0.90 | 141 | MG, ATP |
| 2 | 624 | 0.85 | 0.90 | 95 | UNX |
| 3 | 153 | 0.63 | 0.85 | 21 | VX8 |
| 4 | 188 | 0.63 | 0.83 | 23 | empty |
| 5 | 67 | 0.62 | 0.91 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 554 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7SVD · The complex of phosphorylated human cystic fibrosis transmembrane conductance regulator… · the same entry in another collection · chain A against A, TM-score 1.00
- P13569 · AlphaFold monomer V2.0 prediction for cystic fibrosis transmembrane conductance regulator… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P13569
- Elsewhere: RCSB PDB 7SVD · PDBe 7SVD · UniProt P13569
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