MolNFT v1 · #171711 · protein
Human NBD1 of cftr in complex with nanobody G11A
6ZE1 · Cystic fibrosis transmembrane conductance regulator: “Human NBD1 of cftr in complex with nanobody G11A”. X-ray diffraction, 1 ligand (ATP), 2 pockets (best druggability 0.52). MolNFT v1 #171711 on GenesisL1: 3D structure, binding…
- PDB
- 6ZE1
- Type
- protein
- Length
- 337 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cystic fibrosis transmembrane conductance regulator; G11A nanobody
- EC
- 5.6.1.6
- UniProt
- Q20BJ8
- Ligands
- ATP
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cystic fibrosis transmembrane conductance regulator (EC 5.6.1.6) | protein | 215 | 38% helix, 22% strand | Q20BJ8 |
| B | G11A nanobody | protein | 122 | 5% helix, 50% strand | — |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 62 | 0.52 | 0.86 | 22 | empty |
| 2 | 124 | 0.40 | 0.74 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 916 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 6ZE1 · human NBD1 of CFTR in complex with nanobody G11a · the same entry in another collection · chain A against A, TM-score 1.00
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 Q20BJ8
- Elsewhere: RCSB PDB 6ZE1 · PDBe 6ZE1 · UniProt Q20BJ8
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