Research workbench
Phosphorylated, ATP-bound human cystic fibrosis transmembrane conductance regulator (cftr)
Analyse Phosphorylated, ATP-bound 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
- 6MSM
- Type
- protein
- Length
- 1,198 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cystic fibrosis transmembrane conductance regulator; Piece of molecule-1
- EC
- 3.6.3.49
- UniProt
- P13569
- Ligands
- POV, ATP, CLR, MG
- Pockets
- 18 · best druggability 0.90
Structure
electron microscopy · 2 distinct chains · 60% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cystic fibrosis transmembrane conductance regulator (EC 3.6.3.49) | protein | 1181 | 60% helix, 9% strand | P13569 |
| B | Piece of molecule-1 | protein | 17 | 47% helix, 0% strand | — |
Ligands and binding sites
- POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate · ligand · 5 copies · chains A
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A
- CLR · Cholesterol · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1081 | 0.90 | 0.92 | 141 | MG, ATP |
| 2 | 1114 | 0.89 | 0.90 | 111 | empty |
| 3 | 299 | 0.67 | 0.82 | 35 | empty |
| 4 | 113 | 0.62 | 0.86 | 17 | empty |
| 5 | 121 | 0.61 | 0.86 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 606 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6MSM · Phosphorylated, ATP-bound human cystic fibrosis transmembrane conductance regulator (CFTR) · the same entry in another collection · chain B against B, 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 6MSM · PDBe 6MSM · UniProt P13569
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.