MolNFT v1 · #73919 · protein
Complex structure of beta-galactosidase from trichoderma reesei with petg
3OGV: “Complex structure of beta-galactosidase from trichoderma reesei with petg”. X-ray diffraction, 5 ligands (PTQ, NAG, MAN), 10 pockets (best druggability 0.71). MolNFT v1 #73919 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3OGV
- Type
- protein
- Length
- 986 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-galactosidase
- EC
- 3.2.1.23
- UniProt
- Q70SY0
- Ligands
- PTQ, NAG, MAN, BMA, GLC
- Pockets
- 10 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-galactosidase (EC 3.2.1.23) | protein | 986 | 15% helix, 32% strand | Q70SY0 |
Ligands and binding sites
- PTQ · 2-phenylethyl 1-thio-beta-D-galactopyranoside · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A
- MAN · alpha-D-mannopyranose · sugar · 8 copies · chains A
- BMA · beta-D-mannopyranose · sugar · 2 copies · chains A
- GLC · alpha-D-glucopyranose · sugar · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.71 | 0.98 | 22 | empty |
| 2 | 168 | 0.57 | 0.81 | 29 | empty |
| 3 | 156 | 0.55 | 0.81 | 21 | empty |
| 4 | 207 | 0.51 | 0.76 | 31 | GLC, PTQ |
| 5 | 72 | 0.50 | 0.85 | 16 | empty |
Modifications
Observed in the structure: 5 glycan, 1 disulfide (N-glycosylation, disulfide).
Compared structures
- 3OGV · Complex structure of beta-galactosidase from Trichoderma reesei with PETG · 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 Q70SY0
- Elsewhere: RCSB PDB 3OGV · PDBe 3OGV · UniProt Q70SY0
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