MolNFT v1 · #31953 · protein
Human DELTAF508 NBD1 with three solubilizing mutations
2BBS · Cystic fibrosis transmembrane conductance regulator: “Human DELTAF508 NBD1 with three solubilizing mutations”. X-ray diffraction, 2 ligands (ATP, MG), 3 pockets (best druggability 0.77). MolNFT v1 #31953 on GenesisL1: 3D structure…
- PDB
- 2BBS
- Type
- protein
- Length
- 484 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cystic fibrosis transmembrane conductance regulator
- UniProt
- P13569
- Ligands
- ATP, MG
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cystic fibrosis transmembrane conductance regulator | protein | 253 | 43% helix, 23% strand | P13569 |
| B | Cystic fibrosis transmembrane conductance regulator | protein | 231 | 39% helix, 26% strand | P13569 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 972 | 0.77 | 0.79 | 77 | ATP |
| 2 | 147 | 0.53 | 0.79 | 16 | empty |
| 3 | 201 | 0.52 | 0.77 | 39 | MG |
Interfaces
1 interface between chains.
- A–B · 239 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2BBS · Human deltaF508 NBD1 with three solubilizing mutations · 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 B against A, TM-score 0.96
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 2BBS · PDBe 2BBS · UniProt P13569
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