MolNFT v1 · #30978 · protein
Crystal structure of the genetic mutant R54W of human glutaminyl cyclase
2AFS · Glutaminyl-peptide cyclotransferase: “Crystal structure of the genetic mutant R54W of human glutaminyl cyclase”. X-ray diffraction, 2 ligands (ZN, SO4), 6 pockets (best druggability 0.66). MolNFT v1 #30978 on GenesisL1: 3D…
- PDB
- 2AFS
- 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
- 6 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutaminyl-peptide cyclotransferase (EC 2.3.2.5) | protein | 323 | 38% helix, 16% strand | Q16769 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 518 | 0.66 | 0.77 | 74 | empty |
| 2 | 91 | 0.49 | 0.82 | 19 | SO4 |
| 3 | 60 | 0.40 | 0.81 | 17 | SO4 |
| 4 | 71 | 0.33 | 0.76 | 19 | empty |
| 5 | 60 | 0.30 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 554 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2AFS · Crystal structure of the genetic mutant R54W of human glutaminyl cyclase · 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 2AFS · PDBe 2AFS · UniProt Q16769
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