MolNFT v1 · #153445 · protein
Crystal structure of pullulanase from paenibacillus barengoltzii complex with beta-cyclodextrin
6JEQ · Pulullanase: “Crystal structure of pullulanase from paenibacillus barengoltzii complex with beta-cyclodextrin”. X-ray diffraction, 3 ligands (GLC, CA, CL), 5 pockets (best druggability 0.64). MolNFT v1 #153445 on GenesisL1: 3D…
- PDB
- 6JEQ
- Type
- protein
- Length
- 651 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pulullanase
- EC
- 3.2.1.41
- UniProt
- A0A0C5GWS2
- Ligands
- GLC, CA, CL
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pulullanase (EC 3.2.1.41) | protein | 651 | 31% helix, 22% strand | A0A0C5GWS2 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 21 copies · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- IMD · Imidazole · additive · 3 copies · chains A
- PGE · Triethylene glycol · additive · 3 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 462 | 0.64 | 0.77 | 67 | GLC |
| 2 | 171 | 0.54 | 0.80 | 29 | empty |
| 3 | 87 | 0.38 | 0.77 | 19 | empty |
| 4 | 76 | 0.37 | 0.77 | 20 | empty |
| 5 | 64 | 0.33 | 0.76 | 18 | CA |
Compared structures
- 6JEQ · Crystal structure of Pullulanase from Paenibacillus barengoltzii complex with… · 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 A0A0C5GWS2
- Elsewhere: RCSB PDB 6JEQ · PDBe 6JEQ · UniProt A0A0C5GWS2
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