Research workbench
Crystal structure of the D129S mutant of the cftr inhibitory factor cif containing 1,2-epoxycyclohexane
Analyse Crystal structure of the D129S mutant of the cftr inhibitory factor cif… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5TNS
- Type
- protein
- Length
- 1,185 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cftr inhibitory factor
- UniProt
- A0A0M3KL26
- Ligands
- 7EX
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Cftr inhibitory factor | protein | 297 | 42% helix, 20% strand | A0A0M3KL26 |
| C | Cftr inhibitory factor | protein | 294 | 43% helix, 20% strand | A0A0M3KL26 |
Ligands and binding sites
- 7EX · (1R,6S)-7-oxabicyclo[4.1.0]heptane · ligand · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 577 | 0.80 | 0.86 | 65 | empty |
| 2 | 557 | 0.79 | 0.85 | 64 | empty |
| 3 | 69 | 0.74 | 0.98 | 19 | 7EX |
| 4 | 54 | 0.73 | 0.99 | 19 | empty |
| 5 | 61 | 0.73 | 0.98 | 19 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1407 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1395 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 646 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 625 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 403 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 5TNS · Crystal structure of the D129S mutant of the CFTR inhibitory factor Cif containing… · 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 A0A0M3KL26
- Elsewhere: RCSB PDB 5TNS · PDBe 5TNS · UniProt A0A0M3KL26
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