MolNFT v1 · #23131 · protein
Golgi alpha-mannosidase II in complex with the salacinol analog ghavamiol
1TQU: “Golgi alpha-mannosidase II in complex with the salacinol analog ghavamiol”. X-ray diffraction, 3 ligands (GHA, NAG, ZN), 11 pockets (best druggability 0.80). MolNFT v1 #23131 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1TQU
- 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
- GHA, NAG, ZN
- Pockets
- 11 · best druggability 0.80
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
- GHA · 1'-((1,4-dideoxy-1,4-imino-D-arabinitol)-4-N-ammonium)-1'-deoxy-L-erythritol-3'-sulfate inner salt · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- ZN · Zinc ion · metal · chains A
- MRD · (4R)-2-methylpentane-2,4-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 120 | 0.80 | 0.98 | 31 | empty |
| 2 | 295 | 0.76 | 0.88 | 46 | empty |
| 3 | 668 | 0.72 | 0.79 | 84 | empty |
| 4 | 406 | 0.65 | 0.79 | 44 | empty |
| 5 | 215 | 0.51 | 0.76 | 32 | GHA |
Modifications
Observed in the structure: 5 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 1TQU · Golgi alpha-Mannosidase II In Complex With The Salacinol Analog Ghavamiol · 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 1TQU · PDBe 1TQU · UniProt Q24451
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