Research workbench
Crystal structure of HA17-HA33-lactulose
Analyse Crystal structure of HA17-HA33-lactulose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5BQU
- Type
- protein
- Length
- 706 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ha-33; Ha-17
- UniProt
- Q45871, Q45878
- Ligands
- FRU, GAL
- Pockets
- 9 · best druggability 0.51
Structure
x-ray diffraction · 3 distinct chains · 8% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Ha-33 | protein | 277 | 9% helix, 47% strand | Q45871 |
| A | Ha-33 | protein | 285 | 9% helix, 47% strand | Q45871 |
| C | Ha-17 | protein | 144 | 6% helix, 49% strand | Q45878 |
Ligands and binding sites
- FRU · beta-D-fructofuranose · sugar · 2 copies · chains A
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 189 | 0.51 | 0.78 | 28 | empty |
| 2 | 107 | 0.42 | 0.78 | 20 | empty |
| 3 | 74 | 0.42 | 0.80 | 19 | empty |
| 4 | 109 | 0.38 | 0.74 | 17 | empty |
| 5 | 62 | 0.37 | 0.78 | 14 | empty |
Interfaces
3 interfaces between chains.
- B–A · 999 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 715 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 445 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5BQU · Crystal structure of HA17-HA33-Lactulose · 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 Q45871
- Every structure of UniProt Q45878
- Elsewhere: RCSB PDB 5BQU · PDBe 5BQU · UniProt Q45871 · UniProt Q45878
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