MolNFT v1 · #187777 · protein
The complex of phosphorylated human cystic fibrosis transmembrane conductance regulator (cftr) with ATP/MG and lumacaftor (vx-809)
7SVD: “The complex of phosphorylated human cystic fibrosis transmembrane conductance regulator (cftr) with ATP/MG…”. Electron microscopy, 7 ligands (CLR, ATP, D10), 20 pockets (best druggability 0.89). MolNFT v1 #187777 on GenesisL1: 3D…
- PDB
- 7SVD
- Type
- protein
- Length
- 1,190 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- 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 · 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
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.