MolNFT v1 · #19850 · protein
Golgi alpha-mannosidase II covalent intermediate complex with 5- fluoro-gulosyl-fluoride
1QWN: “Golgi alpha-mannosidase II covalent intermediate complex with 5- fluoro-gulosyl-fluoride”. X-ray diffraction, 3 ligands (GUL, NAG, ZN), 13 pockets (best druggability 0.81). MolNFT v1 #19850 on GenesisL1: 3D structure, binding sites…
- PDB
- 1QWN
- Type
- protein
- Length
- 1,014 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-mannosidase II
- EC
- 3.2.1.114
- UniProt
- Q24451
- Ligands
- GUL, NAG, ZN
- Pockets
- 13 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-mannosidase II (EC 3.2.1.114) | protein | 1014 | 24% helix, 30% strand | Q24451 |
Ligands and binding sites
- GUL · (2R,3S,4R,5S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- ZN · Zinc ion · metal · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 131 | 0.81 | 0.98 | 31 | empty |
| 2 | 233 | 0.76 | 0.90 | 42 | empty |
| 3 | 578 | 0.71 | 0.80 | 89 | empty |
| 4 | 271 | 0.63 | 0.81 | 33 | empty |
| 5 | 216 | 0.51 | 0.77 | 34 | GUL, TRS |
Modifications
Observed in the structure: 5 disulfide, 1 covalent, 1 glycan (disulfide, covalent ligand, N-glycosylation).
Compared structures
- 1QWN · GOLGI ALPHA-MANNOSIDASE II Covalent Intermediate Complex with 5-fluoro-gulosyl-fluoride · the same entry in another collection · chain A against A, TM-score 1.00
- Q24451 · AlphaFold monomer V2.0 prediction for alpha-mannosidase 2 (Q24451) · 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 Q24451
- Elsewhere: RCSB PDB 1QWN · PDBe 1QWN · UniProt Q24451
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.