MolNFT v1 · #162337 · protein
The crystal structure of glycoside hydrolase bglx inactive mutant from P. aeruginosa in complex with laminaritriose
6R5U · Periplasmic beta-glucosidase: “The crystal structure of glycoside hydrolase bglx inactive mutant from P. aeruginosa in complex with…”. X-ray diffraction, 2 ligands (BGC, MG), 16 pockets (best druggability 0.86). MolNFT v1 #162337 on…
- 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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