Research workbench
Crystal structure of mitochondrial isoform of glutaminyl cyclase from drosophila melanogaster
Analyse Crystal structure of mitochondrial isoform of glutaminyl cyclase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FAI
- Type
- protein
- Length
- 607 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
- 6 · best druggability 0.59
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 | 302 | 40% helix, 21% strand | Q86PD7 |
| B | CG5976, isoform B (EC 2.3.2.5, 3.4.-.-) | protein | 305 | 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 · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 407 | 0.59 | 0.75 | 43 | empty |
| 2 | 310 | 0.58 | 0.77 | 39 | empty |
| 3 | 55 | 0.41 | 0.82 | 15 | PBD |
| 4 | 50 | 0.38 | 0.81 | 17 | PBD |
| 5 | 51 | 0.36 | 0.80 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 700 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4FAI · Crystal structure of mitochondrial isoform of glutaminyl cyclase from Drosophila… · 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 4FAI · PDBe 4FAI · UniProt Q86PD7
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