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Phosphorylated bacillus cereus phosphopentomutase soaked with glucose 1,6-bisphosphate
Analyse Phosphorylated bacillus cereus phosphopentomutase soaked with glucose… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UO0
- Type
- protein
- Length
- 1,171 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphopentomutase
- EC
- 5.4.2.7
- UniProt
- Q818Z9
- Ligands
- G16, MN
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphopentomutase (EC 5.4.2.7) | protein | 391 | 35% helix, 21% strand | Q818Z9 |
| B, C | Phosphopentomutase (EC 5.4.2.7) | protein | 390 | 35% helix, 21% strand | Q818Z9 |
Ligands and binding sites
- G16 · 1,6-di-O-phosphono-alpha-D-glucopyranose · ligand · chains A
- MN · Manganese (II) ion · metal · 8 copies · chains A, B, C
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 995 | 0.76 | 0.79 | 98 | G16 |
| 2 | 1068 | 0.74 | 0.77 | 72 | empty |
| 3 | 550 | 0.68 | 0.78 | 57 | empty |
| 4 | 488 | 0.67 | 0.78 | 40 | empty |
| 5 | 65 | 0.41 | 0.81 | 14 | empty |
Interfaces
2 interfaces between chains.
- B–C · 925 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 340 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (phosphorylation).
Compared structures
- 3UO0 · phosphorylated Bacillus cereus phosphopentomutase soaked with glucose 1,6-bisphosphate · the same entry in another collection · chain A against A, TM-score 1.00
- Q818Z9 · AlphaFold monomer V2.0 prediction for phosphopentomutase (Q818Z9) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q818Z9
- Elsewhere: RCSB PDB 3UO0 · PDBe 3UO0 · UniProt Q818Z9
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