MolNFT v1 · #188201 · protein
Structure of cyclophilin D peptidyl-prolyl isomerase domain bound to macrocyclic inhibitor jombt
7TGS · Peptidyl-prolyl cis-trans isomerase F, mitochondrial: “Structure of cyclophilin D peptidyl-prolyl isomerase domain bound to macrocyclic inhibitor jombt”. X-ray diffraction, 1 ligand (I3Q), 1 pocket (best druggability 0.31). MolNFT…
- PDB
- 7TGS
- Type
- protein
- Length
- 164 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidyl-prolyl cis-trans isomerase F, mitochondrial
- EC
- 5.2.1.8
- UniProt
- P30405
- Ligands
- I3Q
- Pockets
- 1 · best druggability 0.31
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Peptidyl-prolyl cis-trans isomerase F, mitochondrial (EC 5.2.1.8) | protein | 164 | 14% helix, 32% strand | P30405 |
Ligands and binding sites
- I3Q · (4S,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6, 7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide · ligand · chains X
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.31 | 0.77 | 16 | empty |
Compared structures
- 7TGS · Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic… · the same entry in another collection · chain X against X, 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 P30405
- Elsewhere: RCSB PDB 7TGS · PDBe 7TGS · UniProt P30405
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.