MolNFT v1 · #187779 · protein
The complex of dephosphorylated human cystic fibrosis transmembrane conductance regulator (cftr) and lumacaftor (vx-809)
7SVR: “The complex of dephosphorylated human cystic fibrosis transmembrane conductance regulator (cftr) and…”. Electron microscopy, 1 ligand (VX8), 19 pockets (best druggability 0.83). MolNFT v1 #187779 on GenesisL1: 3D structure, binding…
- PDB
- 7SVR
- Type
- protein
- Length
- 1,153 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
- VX8
- Pockets
- 19 · best druggability 0.83
Structure
electron microscopy · 2 distinct chains · 60% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cystic fibrosis transmembrane conductance regulator (EC 5.6.1.6) | protein | 1134 | 60% helix, 8% strand | P13569 |
| B | Cystic fibrosis transmembrane conductance regulator | protein | 19 | 42% helix, 0% strand | — |
Ligands and binding sites
- VX8 · Lumacaftor · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 976 | 0.83 | 0.84 | 97 | empty |
| 2 | 810 | 0.78 | 0.82 | 88 | empty |
| 3 | 1120 | 0.77 | 0.80 | 106 | empty |
| 4 | 722 | 0.74 | 0.80 | 72 | empty |
| 5 | 483 | 0.72 | 0.82 | 54 | empty |
Interfaces
1 interface between chains.
- A–B · 561 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7SVR · The complex of dephosphorylated 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 0.83
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 7SVR · PDBe 7SVR · UniProt P13569
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