MolNFT v1 · #56412 · protein
Crystal structure of the human glutaminyl cyclase mutant E201D at 1.67 ångström resolution
2ZEF · Glutaminyl-peptide cyclotransferase: “Crystal structure of the human glutaminyl cyclase mutant E201D at 1.67 ångström resolution”. X-ray diffraction, 2 ligands (ZN, SO4), 4 pockets (best druggability 0.68). MolNFT v1 #56412 on…
- PDB
- 2ZEF
- Type
- protein
- Length
- 646 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutaminyl-peptide cyclotransferase
- EC
- 2.3.2.5
- UniProt
- Q16769
- Ligands
- ZN, SO4
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutaminyl-peptide cyclotransferase (EC 2.3.2.5) | protein | 323 | 37% helix, 16% strand | Q16769 |
Ligands and binding sites
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 | 655 | 0.68 | 0.77 | 101 | empty |
| 2 | 105 | 0.53 | 0.83 | 20 | SO4 |
| 3 | 53 | 0.42 | 0.82 | 16 | empty |
| 4 | 87 | 0.33 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 527 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2ZEF · Crystal structure of the human glutaminyl cyclase mutant E201D at 1.67 angstrom resolution · the same entry in another collection · chain A against A, TM-score 1.00
- Q16769 · AlphaFold monomer V2.0 prediction for glutaminyl-peptide cyclotransferase (Q16769) · a predicted model of the same protein · 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 Q16769
- Elsewhere: RCSB PDB 2ZEF · PDBe 2ZEF · UniProt Q16769
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