Research workbench
Structure of the maltase BAAG2 from blastobotrys adeninivorans in complex with acarbose
Analyse Structure of the maltase BAAG2 from blastobotrys adeninivorans in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7P01
- Type
- protein
- Length
- 1,143 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BAAG2
- EC
- 3.2.1.20
- Ligands
- AC1, MB3, GLC, CA
- Pockets
- 14 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BAAG2 (EC 3.2.1.20) | protein | 572 | 36% helix, 18% strand | — |
| B | BAAG2 (EC 3.2.1.20) | protein | 571 | 36% helix, 18% strand | — |
Ligands and binding sites
- AC1 · 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose · ligand · 3 copies · chains A, B
- MB3 · 1-methylpyrrolidin-2-one · ligand · 3 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 6 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
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1022 | 0.86 | 0.87 | 92 | GLC, AC1 |
| 2 | 719 | 0.82 | 0.86 | 72 | GLC, AC1 |
| 3 | 60 | 0.72 | 0.98 | 19 | empty |
| 4 | 95 | 0.53 | 0.84 | 22 | empty |
| 5 | 62 | 0.51 | 0.87 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 630 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 7P01 · Structure of the maltase BaAG2 from Blastobotrys adeninivorans in complex with acarbose · 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 7P01 · PDBe 7P01
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