Research workbench
Phosphotriesterase variant R22
Analyse Phosphotriesterase variant R22 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4PCN
- Type
- protein
- Length
- 655 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphotriesterase variant pte-R22
- UniProt
- A0A060GSW0
- Ligands
- ZN
- Pockets
- 7 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphotriesterase variant pte-R22 | protein | 326 | 52% helix, 16% strand | A0A060GSW0 |
| B | Phosphotriesterase variant pte-R22 | protein | 329 | 50% helix, 15% strand | A0A060GSW0 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 92 | 0.73 | 0.96 | 26 | empty |
| 2 | 251 | 0.62 | 0.80 | 40 | empty |
| 3 | 209 | 0.59 | 0.81 | 29 | MPD |
| 4 | 53 | 0.53 | 0.88 | 18 | empty |
| 5 | 51 | 0.33 | 0.78 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1443 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (carboxylation).
Compared structures
- 4PCN · Phosphotriesterase variant R22 · 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 A0A060GSW0
- Elsewhere: RCSB PDB 4PCN · PDBe 4PCN · UniProt A0A060GSW0
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