MolNFT v1 · #88426 · protein
Unravelling the multiple functions of the architecturally intricate streptococcus pneumoniae beta-galactosidase, bgaa.
4CUC: “Unravelling the multiple functions of the architecturally intricate streptococcus pneumoniae…”. X-ray diffraction, 3 ligands (NAG, GAL, SO4), 11 pockets (best druggability 0.77). MolNFT v1 #88426 on GenesisL1: 3D structure, binding…
- PDB
- 4CUC
- Type
- protein
- Length
- 847 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-galactosidase
- UniProt
- I6L8R4
- Ligands
- NAG, GAL, SO4
- Pockets
- 11 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-galactosidase | protein | 847 | 16% helix, 38% strand | I6L8R4 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- GAL · beta-D-galactopyranose · sugar · chains A
- SO4 · Sulfate ion · ion · 6 copies · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 92 | 0.77 | 0.98 | 24 | empty |
| 2 | 804 | 0.76 | 0.80 | 72 | SO4 |
| 3 | 54 | 0.72 | 0.99 | 20 | empty |
| 4 | 486 | 0.66 | 0.78 | 41 | empty |
| 5 | 350 | 0.61 | 0.78 | 41 | empty |
Compared structures
- 4CUC · 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 I6L8R4
- Elsewhere: RCSB PDB 4CUC · PDBe 4CUC · UniProt I6L8R4
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