MolNFT v1 · #129451 · protein
Conservatively refined structure of GAN1D-wt, a putative 6-phospho- beta-galactosidase from geobacillus stearothermophilus, in complex with 6-phospho-beta-glucose
5OKR · Putative 6-phospho-beta-galactobiosidase: “Conservatively refined structure of GAN1D-wt, a putative 6-phospho- beta-galactosidase from geobacillus…”. X-ray diffraction, 1 ligand (BG6), 7 pockets (best druggability 0.84). MolNFT v1…
- PDB
- 5OKR
- Type
- protein
- Length
- 948 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative 6-phospho-beta-galactobiosidase
- EC
- 3.2.1.85
- UniProt
- W8QF82
- Ligands
- BG6
- Pockets
- 7 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative 6-phospho-beta-galactobiosidase (EC 3.2.1.85) | protein | 474 | 41% helix, 16% strand | W8QF82 |
Ligands and binding sites
- BG6 · 6-O-phosphono-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
- IMD · Imidazole · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 990 | 0.84 | 0.85 | 75 | BG6 |
| 2 | 1087 | 0.83 | 0.84 | 80 | BG6 |
| 3 | 156 | 0.82 | 0.98 | 27 | empty |
| 4 | 151 | 0.48 | 0.78 | 26 | empty |
| 5 | 166 | 0.47 | 0.76 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1607 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 5OKR · Conservatively refined structure of Gan1D-WT, a putative 6-phospho-beta-galactosidase… · 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 W8QF82
- Elsewhere: RCSB PDB 5OKR · PDBe 5OKR · UniProt W8QF82
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