MolNFT v1 · #88425 · protein
Unravelling the multiple functions of the architecturally intricate streptococcus pneumoniae beta-galactosidase, bgaa
4CUB: “Unravelling the multiple functions of the architecturally intricate streptococcus pneumoniae…”. X-ray diffraction, 3 ligands (NAG, GAL, CA), 1 pocket (best druggability 0.68). MolNFT v1 #88425 on GenesisL1: 3D structure, binding…
- PDB
- 4CUB
- Type
- protein
- Length
- 359 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-galactosidase
- EC
- 3.2.1.23
- UniProt
- Q8DQP4
- Ligands
- NAG, GAL, CA
- Pockets
- 1 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-galactosidase (EC 3.2.1.23) | protein | 179 | 9% helix, 41% strand | Q8DQP4 |
| B | Beta-galactosidase (EC 3.2.1.23) | protein | 180 | 9% helix, 41% strand | Q8DQP4 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 10 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 538 | 0.68 | 0.78 | 57 | EDO |
Interfaces
1 interface between chains.
- A–B · 388 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4CUB · Unravelling the multiple functions of the architecturally intricate Streptococcus… · 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 Q8DQP4
- Elsewhere: RCSB PDB 4CUB · PDBe 4CUB · UniProt Q8DQP4
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