MolNFT v1 · #140815 · protein
Crystal structure of pullulanase from klebsiella pneumoniae complex at 1 mm beta-cyclodextrin
5YNC · Pula protein: “Crystal structure of pullulanase from klebsiella pneumoniae complex at 1 mm beta-cyclodextrin”. X-ray diffraction, 2 ligands (GLC, CA), 9 pockets (best druggability 0.62). MolNFT v1 #140815 on GenesisL1: 3D structure…
- PDB
- 5YNC
- Type
- protein
- Length
- 1,052 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pula protein
- UniProt
- W9BQ28
- Ligands
- GLC, CA
- Pockets
- 9 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pula protein | protein | 1052 | 27% helix, 23% strand | W9BQ28 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 14 copies · chains A
- CA · Calcium ion · metal · 5 copies · chains A
- ACT · Acetate ion · additive · 2 copies · chains A
- GOL · Glycerol · additive · chains 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 241 | 0.62 | 0.81 | 38 | empty |
| 2 | 319 | 0.58 | 0.77 | 42 | GLC, ACT, GOL |
| 3 | 157 | 0.49 | 0.78 | 26 | empty |
| 4 | 156 | 0.46 | 0.76 | 24 | empty |
| 5 | 51 | 0.39 | 0.81 | 20 | empty |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 5YNC · Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 1 mM… · 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 5YNC · PDBe 5YNC · UniProt W9BQ28
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