MolNFT v1 · #9214 · protein
Streptomyces plicatus beta-N-acetylhexosaminidase complexed with intermediate analouge nag-thiazoline
1HP5: “Streptomyces plicatus beta-N-acetylhexosaminidase complexed with intermediate analouge nag-thiazoline”. X-ray diffraction, 3 ligands (NGT, CL, SO4), 5 pockets (best druggability 0.57). MolNFT v1 #9214 on GenesisL1: 3D structure…
- PDB
- 1HP5
- Type
- protein
- Length
- 499 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-N-acetylhexosaminidase
- EC
- 3.2.1.52
- UniProt
- O85361
- Ligands
- NGT, CL, SO4
- Pockets
- 5 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-N-acetylhexosaminidase (EC 3.2.1.52) | protein | 499 | 34% helix, 17% strand | O85361 |
Ligands and binding sites
- NGT · 3ar,5r,6s,7r,7ar-5-hydroxymethyl-2-methyl-5,6,7,7A-tetrahydro-3AH-pyrano[3,2-d]thiazole-6,7-diol · ligand · chains A
- CL · Chloride ion · ion · 3 copies · chains A
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · 2 copies · chains A
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 | 80 | 0.57 | 0.87 | 17 | NGT, GOL |
| 2 | 115 | 0.42 | 0.77 | 21 | CL |
| 3 | 69 | 0.40 | 0.80 | 17 | empty |
| 4 | 106 | 0.36 | 0.74 | 19 | GOL |
| 5 | 88 | 0.32 | 0.73 | 15 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 1HP5 · Streptomyces plicatus beta-N-acetylhexosaminidase complexed with intermediate analouge… · 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 O85361
- Elsewhere: RCSB PDB 1HP5 · PDBe 1HP5 · UniProt O85361
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.