Research workbench
Crystal structure of adenosine phosphorylase from bacillus cereus with adenosine bound in the active site
Analyse Crystal structure of adenosine phosphorylase from bacillus cereus with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2AC7
- Type
- protein
- Length
- 441 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Purine nucleoside phosphorylase
- EC
- 2.4.2.1
- Ligands
- ADN, SO4
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Purine nucleoside phosphorylase (EC 2.4.2.1) | protein | 220 | 36% helix, 30% strand | — |
| B | Purine nucleoside phosphorylase (EC 2.4.2.1) | protein | 221 | 36% helix, 29% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 231 | 0.64 | 0.82 | 42 | SO4, ADN |
| 2 | 196 | 0.62 | 0.83 | 31 | SO4, ADN |
| 3 | 283 | 0.61 | 0.79 | 38 | empty |
| 4 | 256 | 0.58 | 0.78 | 42 | empty |
Interfaces
1 interface between chains.
- A–B · 1477 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2AC7 · Crystal structure of Adenosine Phosphorylase from Bacillus cereus with adenosine bound in… · 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
- Elsewhere: RCSB PDB 2AC7 · PDBe 2AC7
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