Research workbench
Human NBD1 of cftr in complex with nanobodies D12 and T4
Analyse Human NBD1 of cftr in complex with nanobodies D12 and T4 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6GJS
- Type
- protein
- Length
- 458 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cystic fibrosis transmembrane conductance regulator; Nanobody D12; Nanobody T4
- EC
- 3.6.3.49
- UniProt
- Q20BJ8
- Ligands
- ATP, MG
- Pockets
- 6 · best druggability 0.67
Structure
x-ray diffraction · 3 distinct chains · 17% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cystic fibrosis transmembrane conductance regulator (EC 3.6.3.49) | protein | 219 | 32% helix, 28% strand | Q20BJ8 |
| B | Nanobody D12 | protein | 122 | 2% helix, 59% strand | — |
| C | Nanobody T4 | protein | 117 | 5% helix, 61% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 334 | 0.67 | 0.82 | 46 | MG |
| 2 | 233 | 0.53 | 0.76 | 36 | empty |
| 3 | 214 | 0.48 | 0.75 | 23 | empty |
| 4 | 86 | 0.44 | 0.80 | 18 | empty |
| 5 | 63 | 0.35 | 0.78 | 13 | empty |
Interfaces
3 interfaces between chains.
- A–C · 983 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 852 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 27 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6GJS · Human NBD1 of CFTR in complex with nanobodies D12 and T4 · 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 6GJS · PDBe 6GJS · UniProt Q20BJ8
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