MolNFT v1 · #123886 · protein
Crystal structure of the E153Q mutant of the cftr inhibitory factor cif containing the adducted 14,15-eet hydrolysis intermediate
5JYC: “Crystal structure of the E153Q mutant of the cftr inhibitory factor cif containing the adducted 14,15-eet…”. X-ray diffraction, 1 ligand (EET), 8 pockets (best druggability 0.79). MolNFT v1 #123886 on GenesisL1: 3D structure…
- PDB
- 5JYC
- 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
- EET
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Cftr inhibitory factor | protein | 297 | 42% helix, 18% strand | A0A0M3KL26 |
Ligands and binding sites
- EET · (5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 620 | 0.79 | 0.85 | 69 | empty |
| 2 | 336 | 0.79 | 0.90 | 51 | empty |
| 3 | 191 | 0.69 | 0.86 | 32 | EET |
| 4 | 312 | 0.68 | 0.82 | 42 | EET |
| 5 | 248 | 0.67 | 0.83 | 43 | EET |
Interfaces
5 interfaces between chains.
- A–B · 1441 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 1437 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 626 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 608 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 493 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 covalent, 4 disulfide (covalent ligand, disulfide).
Compared structures
- 5JYC · Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the… · 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 5JYC · PDBe 5JYC · UniProt A0A0M3KL26
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.