MolNFT v1 · #69013 · protein
Crystal structure of the cftr inhibitory factor cif with the H269A mutation
3KDA · Cftr inhibitory factor (cif): “Crystal structure of the cftr inhibitory factor cif with the H269A mutation”. X-ray diffraction, 10 pockets (best druggability 0.77). MolNFT v1 #69013 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3KDA
- Type
- protein
- Length
- 1,192 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cftr inhibitory factor (cif)
- UniProt
- Q02P97
- Pockets
- 10 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, C, A, B | Cftr inhibitory factor (cif) | protein | 298 | 43% helix, 20% strand | Q02P97 |
Pockets
10 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 297 | 0.77 | 0.89 | 47 | empty |
| 2 | 193 | 0.77 | 0.92 | 38 | empty |
| 3 | 50 | 0.71 | 0.99 | 19 | empty |
| 4 | 601 | 0.71 | 0.79 | 63 | empty |
| 5 | 56 | 0.71 | 0.97 | 19 | empty |
Interfaces
5 interfaces between chains.
- D–C · 1416 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1402 Ų buried · 14 hydrogen bonds · protein-protein
- C–B · 591 Ų buried · 5 hydrogen bonds · protein-protein
- D–A · 587 Ų buried · 5 hydrogen bonds · protein-protein
- C–A · 377 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3KDA · Crystal structure of the CFTR inhibitory factor Cif with the H269A mutation · the same entry in another collection · chain D against D, 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 Q02P97
- Elsewhere: RCSB PDB 3KDA · PDBe 3KDA · UniProt Q02P97
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