MolNFT v1 · #184714 · protein
Structure of the maltase BAAG2 from blastobotrys adeninivorans in complex with glucose
7P07: “Structure of the maltase BAAG2 from blastobotrys adeninivorans in complex with glucose”. X-ray diffraction, 3 ligands (MB3, GLC, CA), 10 pockets (best druggability 0.84). MolNFT v1 #184714 on GenesisL1: 3D structure, binding sites…
- PDB
- 7P07
- Type
- protein
- Length
- 1,144 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BAAG2
- EC
- 3.2.1.20
- Ligands
- MB3, GLC, CA
- Pockets
- 10 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BAAG2 (EC 3.2.1.20) | protein | 572 | 35% helix, 18% strand | — |
| B | BAAG2 (EC 3.2.1.20) | protein | 572 | 33% helix, 18% strand | — |
Ligands and binding sites
- MB3 · 1-methylpyrrolidin-2-one · ligand · 2 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1109 | 0.84 | 0.86 | 110 | GLC |
| 2 | 670 | 0.78 | 0.83 | 69 | GLC |
| 3 | 75 | 0.48 | 0.83 | 23 | empty |
| 4 | 192 | 0.44 | 0.74 | 33 | empty |
| 5 | 51 | 0.42 | 0.84 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 713 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 7P07 · Structure of the maltase BaAG2 from Blastobotrys adeninivorans in complex with glucose · 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
- Elsewhere: RCSB PDB 7P07 · PDBe 7P07
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