Research workbench
Improved crystal structure of isopullulanase from aspergillus niger atcc 9642
Analyse Improved crystal structure of isopullulanase from aspergillus niger atcc 9642 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1X0C
- Type
- protein
- Length
- 1,098 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isopullulanase
- EC
- 3.2.1.57
- UniProt
- O00105
- Ligands
- NAG
- Pockets
- 9 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Isopullulanase (EC 3.2.1.57) | protein | 549 | 6% helix, 46% strand | O00105 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 23 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 685 | 0.77 | 0.82 | 45 | empty |
| 2 | 355 | 0.56 | 0.75 | 50 | empty |
| 3 | 381 | 0.55 | 0.74 | 50 | empty |
| 4 | 82 | 0.43 | 0.80 | 17 | empty |
| 5 | 141 | 0.43 | 0.76 | 29 | NAG |
Interfaces
1 interface between chains.
- A–B · 432 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 23 glycan (N-glycosylation).
Compared structures
- 1X0C · Improved Crystal Structure of Isopullulanase from Aspergillus niger ATCC 9642 · the same entry in another collection · chain A against A, TM-score 1.00
- O00105 · AlphaFold monomer V2.0 prediction for isopullulanase (O00105) · a predicted model of the same protein · 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 O00105
- Elsewhere: RCSB PDB 1X0C · PDBe 1X0C · UniProt O00105
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