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The crystal structure of glycoside hydrolase bglx inactive mutant from P. aeruginosa in complex with laminaritriose
Analyse The crystal structure of glycoside hydrolase bglx inactive mutant from P.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6R5U
- Type
- protein
- Length
- 1,458 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Periplasmic beta-glucosidase
- UniProt
- Q9I311
- Ligands
- BGC, MG
- Pockets
- 16 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Periplasmic beta-glucosidase | protein | 729 | 34% helix, 19% strand | Q9I311 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 5 copies · chains B, A
- MG · Magnesium ion · metal · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 311 | 0.86 | 0.96 | 38 | empty |
| 2 | 95 | 0.76 | 0.97 | 23 | empty |
| 3 | 87 | 0.74 | 0.97 | 21 | empty |
| 4 | 319 | 0.66 | 0.81 | 30 | empty |
| 5 | 351 | 0.63 | 0.79 | 34 | BGC |
Interfaces
1 interface between chains.
- B–A · 3295 Ų buried · 72 hydrogen bonds · protein-protein
Compared structures
- 6R5U · The crystal structure of Glycoside Hydrolase BglX inactive mutant from P. aeruginosa in… · the same entry in another collection · chain B against B, 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 Q9I311
- Elsewhere: RCSB PDB 6R5U · PDBe 6R5U · UniProt Q9I311
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