MolNFT v1 · #78361 · protein
Crystal structure of insect beta-N-acetyl-D-hexosaminidase OFHEX1 V327G complexed with pugnac
3S6T · N-acetylglucosaminidase: “Crystal structure of insect beta-N-acetyl-D-hexosaminidase OFHEX1 V327G complexed with pugnac”. X-ray diffraction, 1 ligand (OAN), 4 pockets (best druggability 0.65). MolNFT v1 #78361 on GenesisL1: 3D…
- PDB
- 3S6T
- Type
- protein
- Length
- 575 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetylglucosaminidase
- EC
- 3.2.1.52
- UniProt
- Q06GJ0
- Ligands
- OAN
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-acetylglucosaminidase (EC 3.2.1.52) | protein | 575 | 34% helix, 21% strand | Q06GJ0 |
Ligands and binding sites
- OAN · O-(2-acetamido-2-deoxy D-glucopyranosylidene) amino-N-phenylcarbamate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 278 | 0.65 | 0.81 | 38 | OAN |
| 2 | 205 | 0.56 | 0.79 | 26 | empty |
| 3 | 52 | 0.28 | 0.74 | 14 | empty |
| 4 | 52 | 0.27 | 0.74 | 10 | empty |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3S6T · Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 V327G complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q06GJ0 · AlphaFold monomer V2.0 prediction for chitooligosaccharidolytic beta… · 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 Q06GJ0
- Elsewhere: RCSB PDB 3S6T · PDBe 3S6T · UniProt Q06GJ0
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