MolNFT v1 · #75165 · protein
Crystal structure of the cftr inhibitory factor cif with the H177Y mutation
3PI6 · Hydrolase: “Crystal structure of the cftr inhibitory factor cif with the H177Y mutation”. X-ray diffraction, 9 pockets (best druggability 0.79). MolNFT v1 #75165 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3PI6
- Type
- protein
- Length
- 1,187 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydrolase
- UniProt
- Q02P97
- Pockets
- 9 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydrolase | protein | 297 | 42% helix, 20% strand | Q02P97 |
| B, C | Hydrolase | protein | 296 | 42% helix, 20% strand | Q02P97 |
| D | Hydrolase | protein | 298 | 43% helix, 19% strand | Q02P97 |
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 281 | 0.79 | 0.91 | 40 | empty |
| 2 | 305 | 0.77 | 0.89 | 48 | empty |
| 3 | 353 | 0.64 | 0.79 | 50 | empty |
| 4 | 247 | 0.61 | 0.80 | 29 | empty |
| 5 | 244 | 0.60 | 0.80 | 29 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1421 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 1410 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 639 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 630 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 391 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3PI6 · Crystal structure of the CFTR inhibitory factor Cif with the H177Y mutation · 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 Q02P97
- Elsewhere: RCSB PDB 3PI6 · PDBe 3PI6 · UniProt Q02P97
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