Research workbench
Crystal structure of phosphate tethered phon of S. typhimurium
Analyse Crystal structure of phosphate tethered phon of S. typhimurium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2A96
- Type
- protein
- Length
- 872 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Class a nonspecific acid phosphatase phon
- EC
- 3.1.3.2
- Ligands
- PO4
- Pockets
- 9 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Class a nonspecific acid phosphatase phon (EC 3.1.3.2) | protein | 217 | 69% helix, 1% strand | — |
| B, D | Class a nonspecific acid phosphatase phon (EC 3.1.3.2) | protein | 219 | 66% helix, 1% strand | — |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 300 | 0.63 | 0.80 | 29 | empty |
| 2 | 302 | 0.62 | 0.79 | 30 | empty |
| 3 | 315 | 0.62 | 0.79 | 33 | empty |
| 4 | 323 | 0.62 | 0.79 | 33 | empty |
| 5 | 367 | 0.57 | 0.76 | 46 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1700 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 1689 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 298 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2A96 · Crystal structure of phosphate tethered PhoN of S. typhimurium · 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 2A96 · PDBe 2A96
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