MolNFT v1 · #36606 · protein
Crystal structure of papaya glutaminyl cyclase
2FAW · Glutamine cyclotransferase: “Crystal structure of papaya glutaminyl cyclase”. X-ray diffraction, 4 ligands (NAG, FUC, BMA), 5 pockets (best druggability 0.63). MolNFT v1 #36606 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2FAW
- Type
- protein
- Length
- 500 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamine cyclotransferase
- UniProt
- O81226
- Ligands
- NAG, FUC, BMA, ZN
- Pockets
- 5 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutamine cyclotransferase | protein | 250 | 6% helix, 52% strand | O81226 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar
- ZN · Zinc ion · metal · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- ACY · Acetic acid · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 308 | 0.63 | 0.80 | 45 | TRS |
| 2 | 137 | 0.47 | 0.78 | 23 | empty |
| 3 | 131 | 0.46 | 0.78 | 23 | empty |
| 4 | 84 | 0.34 | 0.74 | 20 | empty |
| 5 | 55 | 0.25 | 0.73 | 10 | empty |
Interfaces
1 interface between chains.
- A–B · 918 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 2FAW · crystal structure of papaya glutaminyl cyclase · 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 O81226
- Elsewhere: RCSB PDB 2FAW · PDBe 2FAW · UniProt O81226
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