MolNFT v1 · #10734 · protein
Crystal structure of bacillus stearothermophilus neopullulanase
1J0H: “Crystal structure of bacillus stearothermophilus neopullulanase”. X-ray diffraction, 2 ligands (CA, CL), 12 pockets (best druggability 0.87). MolNFT v1 #10734 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1J0H
- Type
- protein
- Length
- 1,176 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neopullulanase
- EC
- 3.2.1.135
- UniProt
- P38940
- Ligands
- CA, CL
- Pockets
- 12 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Neopullulanase (EC 3.2.1.135) | protein | 588 | 29% helix, 25% strand | P38940 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 836 | 0.87 | 0.89 | 99 | empty |
| 2 | 410 | 0.82 | 0.90 | 51 | empty |
| 3 | 929 | 0.81 | 0.82 | 87 | empty |
| 4 | 706 | 0.77 | 0.82 | 62 | empty |
| 5 | 201 | 0.67 | 0.85 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 2945 Ų buried · 52 hydrogen bonds · protein-protein
Compared structures
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 P38940
- Elsewhere: RCSB PDB 1J0H · PDBe 1J0H · UniProt P38940
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