Research workbench
Crystal structure of the complex between apha class B acid PHOSPHATASE/PHOSPHOTRANSFERASE
Analyse Crystal structure of the complex between apha class B acid… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2G1A
- Type
- protein
- Length
- 418 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Class B acid phosphatase
- EC
- 3.1.3.2
- UniProt
- P0AE22
- Ligands
- 5HG, MG
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Class B acid phosphatase (EC 3.1.3.2) | protein | 209 | 35% helix, 16% strand | P0AE22 |
Ligands and binding sites
- 5HG · {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonic acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 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 | 328 | 0.68 | 0.82 | 46 | MG, 5HG |
| 2 | 203 | 0.55 | 0.79 | 31 | 5HG |
| 3 | 86 | 0.42 | 0.79 | 19 | empty |
| 4 | 60 | 0.32 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1382 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 2G1A · Crystal structure of the complex between Apha class B acid phosphatase/phosphotransferase · the same entry in another collection · chain A against A, TM-score 1.00
- P0AE22 · AlphaFold monomer V2.0 prediction for class B acid phosphatase (P0AE22) · a predicted model of the same protein · chain B 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 P0AE22
- Elsewhere: RCSB PDB 2G1A · PDBe 2G1A · UniProt P0AE22
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