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The crystal structure of class C acid phosphatase from bacillus anthracis with tungstate bound
Analyse The crystal structure of class C acid phosphatase from bacillus anthracis with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2I34
- Type
- protein
- Length
- 474 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acid phosphatase
- EC
- 3.1.3.2
- UniProt
- Q81L82
- Ligands
- MG, WO4
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Acid phosphatase (EC 3.1.3.2) | protein | 237 | 51% helix, 15% strand | Q81L82 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- WO4 · Tungstate(vi)ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 453 | 0.69 | 0.80 | 45 | MG, WO4 |
| 2 | 502 | 0.69 | 0.79 | 43 | WO4 |
| 3 | 71 | 0.33 | 0.75 | 19 | empty |
| 4 | 75 | 0.31 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2925 Ų buried · 37 hydrogen bonds · protein-protein
Compared structures
- 2I34 · The crystal structure of Class C acid phosphatase from Bacillus anthracis with tungstate… · 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 Q81L82
- Elsewhere: RCSB PDB 2I34 · PDBe 2I34 · UniProt Q81L82
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