MolNFT v1 · #36813 · protein
Crystal structure analysis of klebsiella pneumoniae pullulanase complexed with maltose
2FHB · Alpha-dextrin endo-1,6-alpha-glucosidase: “Crystal structure analysis of klebsiella pneumoniae pullulanase complexed with maltose”. X-ray diffraction, 2 ligands (GLC, CA), 7 pockets (best druggability 0.62). MolNFT v1 #36813 on…
- PDB
- 2FHB
- Type
- protein
- Length
- 1,052 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-dextrin endo-1,6-alpha-glucosidase
- EC
- 3.2.1.41
- UniProt
- W9BQ28
- Ligands
- GLC, CA
- Pockets
- 7 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-dextrin endo-1,6-alpha-glucosidase (EC 3.2.1.41) | protein | 1052 | 27% helix, 22% strand | W9BQ28 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A
- CA · Calcium ion · metal · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 253 | 0.62 | 0.80 | 42 | empty |
| 2 | 333 | 0.58 | 0.77 | 40 | GLC |
| 3 | 155 | 0.48 | 0.78 | 30 | empty |
| 4 | 142 | 0.42 | 0.75 | 20 | empty |
| 5 | 95 | 0.38 | 0.76 | 16 | empty |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 2FHB · Crystal Structure Analysis of Klebsiella pneumoniae pullulanase complexed with maltose · 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
- Every structure of UniProt W9BQ28
- Elsewhere: RCSB PDB 2FHB · PDBe 2FHB · UniProt W9BQ28
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