MolNFT v1 · #161177 · protein
BT0459
6Q63 · Beta-hexosaminidase: “BT0459”. X-ray diffraction, 3 ligands (NAG, CU, CA), 20 pockets (best druggability 0.77). MolNFT v1 #161177 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6Q63
- Type
- protein
- Length
- 2,253 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-hexosaminidase
- EC
- 3.2.1.52
- UniProt
- A0A174QSL3
- Ligands
- NAG, CU, CA
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Beta-hexosaminidase (EC 3.2.1.52) | protein | 751 | 26% helix, 28% strand | A0A174QSL3 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, B, C
- CU · Copper (II) ion · metal · 3 copies · chains A, B, C
- CA · Calcium ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 628 | 0.77 | 0.83 | 75 | NAG |
| 2 | 412 | 0.72 | 0.83 | 56 | empty |
| 3 | 263 | 0.66 | 0.82 | 41 | empty |
| 4 | 112 | 0.65 | 0.89 | 28 | empty |
| 5 | 76 | 0.63 | 0.91 | 24 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2645 Ų buried · 29 hydrogen bonds · protein-protein
- A–C · 255 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 103 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6Q63 · BT0459 · 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 A0A174QSL3
- Elsewhere: RCSB PDB 6Q63 · PDBe 6Q63 · UniProt A0A174QSL3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.