MolNFT v1 · #118800 · protein
Streptomyces plicatus N-acetyl-beta-hexosaminidase in complex with thio-naglucal (tnx)
5FCZ · B-N-acetylhexosaminidase: “Streptomyces plicatus N-acetyl-beta-hexosaminidase in complex with thio-naglucal (tnx)”. X-ray diffraction, 3 ligands (TNX, CL, SO4), 5 pockets (best druggability 0.55). MolNFT v1 #118800 on GenesisL1: 3D…
- PDB
- 5FCZ
- Type
- protein
- Length
- 499 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- B-N-acetylhexosaminidase
- UniProt
- O85361
- Ligands
- TNX, CL, SO4
- Pockets
- 5 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | B-N-acetylhexosaminidase | protein | 499 | 35% helix, 17% strand | O85361 |
Ligands and binding sites
- TNX · 1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol · ligand · chains A
- CL · Chloride ion · ion · 8 copies · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 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 | 77 | 0.55 | 0.86 | 14 | TNX |
| 2 | 141 | 0.46 | 0.77 | 23 | CL |
| 3 | 65 | 0.43 | 0.81 | 16 | empty |
| 4 | 106 | 0.37 | 0.74 | 18 | GOL |
| 5 | 76 | 0.31 | 0.74 | 16 | CL |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5FCZ · Streptomyces plicatus N-acetyl-beta-hexosaminidase in complex with Thio-NAglucal (TNX) · 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 5FCZ · PDBe 5FCZ · UniProt O85361
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