MolNFT v1 · #135067 · protein
Crystal structure of the E153Q mutant of the cftr inhibitory factor cif containing the adducted 16,17-epdpe hydrolysis intermediate
5TNR: “Crystal structure of the E153Q mutant of the cftr inhibitory factor cif containing the adducted 16,17-epdpe…”. X-ray diffraction, 1 ligand (7EZ), 10 pockets (best druggability 0.81). MolNFT v1 #135067 on GenesisL1: 3D structure…
- PDB
- 5TNR
- Type
- protein
- Length
- 1,172 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cftr inhibitory factor
- UniProt
- A0A0M3KL26
- Ligands
- 7EZ
- Pockets
- 10 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, D, A, B | Cftr inhibitory factor | protein | 293 | 43% helix, 18% strand | A0A0M3KL26 |
Ligands and binding sites
- 7EZ · (4Z,7Z,10Z,13Z,16R,17R,19Z)-16,17-dihydroxydocosa-4,7, 10,13,19-pentaenoic acid · 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, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 278 | 0.81 | 0.93 | 43 | empty |
| 2 | 293 | 0.79 | 0.90 | 44 | empty |
| 3 | 197 | 0.70 | 0.87 | 32 | 7EZ |
| 4 | 235 | 0.69 | 0.85 | 37 | 7EZ |
| 5 | 267 | 0.69 | 0.84 | 42 | 7EZ |
Interfaces
5 interfaces between chains.
- C–D · 1431 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 1428 Ų buried · 14 hydrogen bonds · protein-protein
- C–B · 633 Ų buried · 4 hydrogen bonds · protein-protein
- D–A · 597 Ų buried · 4 hydrogen bonds · protein-protein
- C–A · 482 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 covalent, 4 disulfide (covalent ligand, disulfide).
Compared structures
- 5TNR · 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 5TNR · PDBe 5TNR · UniProt A0A0M3KL26
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