MolNFT v1 · #79153 · protein
Crystal structure of beta-hexosaminidase from paenibacillus sp. TS12 in complex with nhac-CAS
3SUW: “Crystal structure of beta-hexosaminidase from paenibacillus sp. TS12 in complex with nhac-CAS”. X-ray diffraction, 2 ligands (GC2, SO4), 2 pockets (best druggability 0.54). MolNFT v1 #79153 on GenesisL1: 3D structure, binding sites…
- PDB
- 3SUW
- Type
- protein
- Length
- 504 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-hexosaminidase
- EC
- 3.2.1.52
- UniProt
- D0VX21
- Ligands
- GC2, SO4
- Pockets
- 2 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-hexosaminidase (EC 3.2.1.52) | protein | 504 | 32% helix, 18% strand | D0VX21 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 151 | 0.54 | 0.81 | 26 | empty |
| 2 | 96 | 0.53 | 0.84 | 18 | GC2 |
Compared structures
- 3SUW · Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with… · 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 D0VX21
- Elsewhere: RCSB PDB 3SUW · PDBe 3SUW · UniProt D0VX21
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