Research workbench
Cystic fibrosis transmembrane conductance regulator (cftr) nucleotide- binding domain one (NBD1) with ATP, I4122 space group
Analyse Cystic fibrosis transmembrane conductance regulator (cftr) nucleotide- binding… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1R10
- Type
- protein
- Length
- 528 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cystic fibrosis transmembrane conductance regulator
- UniProt
- P26361
- Ligands
- ATP, MG
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cystic fibrosis transmembrane conductance regulator | protein | 264 | 42% helix, 24% strand | P26361 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- ACY · Acetic acid · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 374 | 0.64 | 0.79 | 49 | MG, ATP |
| 2 | 189 | 0.51 | 0.77 | 20 | empty |
| 3 | 151 | 0.45 | 0.76 | 33 | MG, ATP |
| 4 | 63 | 0.45 | 0.83 | 27 | empty |
| 5 | 71 | 0.35 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 791 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 1R10 · Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one… · the same entry in another collection · chain A against A, TM-score 1.00
- P26361 · AlphaFold monomer V2.0 prediction for cystic fibrosis transmembrane conductance regulator… · a predicted model of the same protein · chain A against A, TM-score 0.91
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 P26361
- Elsewhere: RCSB PDB 1R10 · PDBe 1R10 · UniProt P26361
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