MolNFT v1 · #91372 · protein
Crystal structure of the C136A/C164A variant of mitochondrial isoform of glutaminyl cyclase from drosophila melanogaster
4FBE · CG5976, isoform B: “Crystal structure of the C136A/C164A variant of mitochondrial isoform of glutaminyl cyclase from drosophila…”. X-ray diffraction, 3 ligands (PBD, ZN, CL), 4 pockets (best druggability 0.64). MolNFT v1 #91372 on…
- PDB
- 4FBE
- Type
- protein
- Length
- 604 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CG5976, isoform B
- EC
- 2.3.2.5, 3.4.-.-
- UniProt
- Q86PD7
- Ligands
- PBD, ZN, CL
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CG5976, isoform B (EC 2.3.2.5, 3.4.-.-) | protein | 303 | 39% helix, 21% strand | Q86PD7 |
| B | CG5976, isoform B (EC 2.3.2.5, 3.4.-.-) | protein | 301 | 40% helix, 21% strand | Q86PD7 |
Ligands and binding sites
- PBD · 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 369 | 0.64 | 0.79 | 35 | CL |
| 2 | 204 | 0.52 | 0.77 | 26 | empty |
| 3 | 51 | 0.37 | 0.80 | 16 | PBD |
| 4 | 50 | 0.33 | 0.77 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 319 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4FBE · Crystal structure of the C136A/C164A variant of mitochondrial isoform of glutaminyl… · 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 Q86PD7
- Elsewhere: RCSB PDB 4FBE · PDBe 4FBE · UniProt Q86PD7
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