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Crystal structure of the E153Q mutant of the cftr inhibitory factor cif containing the adducted 1,2-epoxycyclohexane hydrolysis intermediate
Analyse Crystal structure of the E153Q 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
- 5TND
- Type
- protein
- Length
- 1,188 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cftr inhibitory factor
- UniProt
- A0A0M3KL26
- Ligands
- 40O, 3ZQ
- Pockets
- 10 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, D, A, B | Cftr inhibitory factor | protein | 297 | 42% helix, 18% strand | A0A0M3KL26 |
Ligands and binding sites
- 40O · (1R,2R)-cyclohexane-1,2-diol · ligand · 4 copies · chains C, D, A, B
- 3ZQ · (1S,2S)-cyclohexane-1,2-diol · ligand · 4 copies · chains C, D, A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 350 | 0.77 | 0.88 | 51 | empty |
| 2 | 341 | 0.77 | 0.88 | 52 | empty |
| 3 | 54 | 0.69 | 0.97 | 20 | 40O, 3ZQ |
| 4 | 231 | 0.63 | 0.82 | 30 | empty |
| 5 | 255 | 0.62 | 0.81 | 27 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1425 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1422 Ų buried · 13 hydrogen bonds · protein-protein
- C–B · 639 Ų buried · 4 hydrogen bonds · protein-protein
- D–A · 639 Ų buried · 4 hydrogen bonds · protein-protein
- C–A · 387 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 covalent, 4 disulfide (covalent ligand, disulfide).
Compared structures
- 5TND · Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the… · the same entry in another collection · chain C against C, 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 5TND · PDBe 5TND · UniProt A0A0M3KL26
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